BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 135837 Cc1ccccc1-c1nc(no1)-c1cccnc1 InChI=1S/C14H11N3O/c1-10-5-2-3-7-12(10)14-16-13(17-18-14)11-6-4-8-15-9-11/h2-9H,1H3 CRTXHVXRSFHBOV-UHFFFAOYSA-N 75445 5-(2-methylphenyl)-3-(3-pyridinyl)-1,2,4-oxadiazole::MLS000032414::3-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine::cid_646999::SMR000010524::5-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole::5-(o-tolyl)-3-(3-pyridyl)-1,2,4-oxadiazole Aryl hydrocarbon receptor Homo sapiens 1739 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75445 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75445&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 646999 252652653 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135838 Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCOCC1 InChI=1S/C17H17N3O2S/c1-10-3-2-4-11-9-12-13(18)15(23-16(12)19-14(10)11)17(21)20-5-7-22-8-6-20/h2-4,9H,5-8,18H2,1H3 KIOQMKSRJBIIET-UHFFFAOYSA-N 71633 (3-azanyl-8-methyl-thieno[2,3-b]quinolin-2-yl)-morpholin-4-yl-methanone::(3-Amino-8-methyl-thieno[2,3-b]quinolin-2-yl)-morpholin-4-yl-methanone::cid_648208::(3-amino-8-methyl-2-thieno[2,3-b]quinolinyl)-(4-morpholinyl)methanone::SMR000001747::MLS000029771::(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone::(3-amino-8-methyl-thieno[2,3-b]quinolin-2-yl)-morpholino-methanone Aryl hydrocarbon receptor Homo sapiens >3395 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=71633 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=71633&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 648208 252648910 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135839 COCC(=O)Nc1nnc(s1)-c1cccs1 InChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13) BGOHMAJTGWYSNO-UHFFFAOYSA-N 75446 MLS000034756::2-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide::2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide::cid_649189::SMR000005332::2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)ethanamide::2-methoxy-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acetamide Aryl hydrocarbon receptor Homo sapiens 6261 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75446 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75446&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 649189 252652654 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135840 CCOc1ccccc1NC(=O)c1ccc2nccnc2c1 InChI=1S/C17H15N3O2/c1-2-22-16-6-4-3-5-14(16)20-17(21)12-7-8-13-15(11-12)19-10-9-18-13/h3-11H,2H2,1H3,(H,20,21) SPGIPWBECXTSSO-UHFFFAOYSA-N 75447 SMR000003766::MLS000031358::N-(2-ethoxyphenyl)quinoxaline-6-carboxamide::cid_649937::N-(2-ethoxyphenyl)-6-quinoxalinecarboxamide::Quinoxaline-6-carboxylic acid (2-ethoxy-phenyl)-amide::N-o-phenetylquinoxaline-6-carboxamide Aryl hydrocarbon receptor Homo sapiens 2208 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75447 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75447&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 649937 252652655 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135841 [O-]n1[o+]nc-2c1CCc1nnc(cc-21)-c1ccccc1 InChI=1S/C14H10N4O2/c19-18-13-7-6-11-10(14(13)17-20-18)8-12(16-15-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2 GFEMPVPBJKWUBS-UHFFFAOYSA-N 75448 3-oxidanidyl-8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium::cid_2737129::3-oxido-8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium::SMR000038069::MLS000038932::3-oxido-8-phenyl-4,5-dihydrofurazano[3,4-f]cinnolin-3-ium Aryl hydrocarbon receptor Homo sapiens 2828 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75448 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75448&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2737129 252652656 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135842 CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12 InChI=1S/C16H18N4O/c1-4-5-14(21)18-15-12-9-11-7-6-10(2)8-13(11)17-16(12)20(3)19-15/h6-9H,4-5H2,1-3H3,(H,18,19,21) KIWKLFHHVGFZFN-UHFFFAOYSA-N 75449 N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide::cid_665305::SMR000046425::MLS000041272::N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)butanamide::N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)butyramide Aryl hydrocarbon receptor Homo sapiens 458.05 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75449 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75449&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 665305 252652657 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135843 COc1ccccc1-c1nnc(NC(C)=O)s1 InChI=1S/C11H11N3O2S/c1-7(15)12-11-14-13-10(17-11)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,12,14,15) OUNURTKDWRFINH-UHFFFAOYSA-N 39542 MLS000041972::N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]ethanamide::cid_665459::SMR000046587::N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide Aryl hydrocarbon receptor Homo sapiens 10950 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=39542 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=39542&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 665459 252620433 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135844 CC(C)CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12 InChI=1S/C17H20N4O/c1-10(2)7-15(22)19-16-13-9-12-6-5-11(3)8-14(12)18-17(13)21(4)20-16/h5-6,8-10H,7H2,1-4H3,(H,19,20,22) NJAIEVMLMDSPCB-UHFFFAOYSA-N 75450 N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide::cid_665657::MLS000041275::N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)-3-methylbutanamide::SMR000046800::N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methyl-butanamide::N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methyl-butyramide Aryl hydrocarbon receptor Homo sapiens 476.31 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75450 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75450&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 665657 252652658 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135845 CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 InChI=1S/C15H19N3O4S/c1-4-22-8-7-13-17-18-15(23-13)16-14(19)10-5-6-11(20-2)12(9-10)21-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18,19) NURIZVDDIQZMRR-UHFFFAOYSA-N 75451 SMR000047101::cid_665842::MLS000041173::N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide::N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Aryl hydrocarbon receptor Homo sapiens 6126 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75451 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75451&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 665842 252652659 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135846 Cc1cccc2c(C)nc(NC3=NCN(CCCN4CCOCC4)CN3)nc12 |t:11| InChI=1S/C20H29N7O/c1-15-5-3-6-17-16(2)23-20(24-18(15)17)25-19-21-13-27(14-22-19)8-4-7-26-9-11-28-12-10-26/h3,5-6H,4,7-14H2,1-2H3,(H2,21,22,23,24,25) KUXGPKHPAUIQQQ-UHFFFAOYSA-N 48124 cid_666009::SMR000047283::MLS000084046::4,8-dimethyl-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine::4,8-dimethyl-N-[3-[3-(4-morpholinyl)propyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-2-quinazolinamine::(4,8-dimethylquinazolin-2-yl)-[3-(3-morpholinopropyl)-2,4-dihydro-1H-s-triazin-6-yl]amine Aryl hydrocarbon receptor Homo sapiens 12097 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=48124 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=48124&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 666009 252628422 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135847 CCc1cc(C(Cc2ccc3ccccc3n2)N=O)c(O)cc1O InChI=1S/C19H18N2O3/c1-2-12-9-15(19(23)11-18(12)22)17(21-24)10-14-8-7-13-5-3-4-6-16(13)20-14/h3-9,11,17,22-23H,2,10H2,1H3 JNOVZCYVCVFSQL-UHFFFAOYSA-N 38363 MLS000054212::(6Z)-4-ethyl-3-oxidanyl-6-[1-(oxidanylamino)-2-quinolin-2-yl-ethylidene]cyclohexa-2,4-dien-1-one::(6Z)-4-ethyl-3-hydroxy-6-[1-(hydroxyamino)-2-(2-quinolinyl)ethylidene]-1-cyclohexa-2,4-dienone::SMR000062109::(6Z)-4-ethyl-3-hydroxy-6-[1-(hydroxyamino)-2-quinolin-2-ylethylidene]cyclohexa-2,4-dien-1-one::cid_5742518::(6Z)-4-ethyl-3-hydroxy-6-[1-(hydroxyamino)-2-(2-quinolyl)ethylidene]cyclohexa-2,4-dien-1-one Aryl hydrocarbon receptor Homo sapiens >3395 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38363 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38363&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 91896369 252619275 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135848 Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1 InChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16) KPVDBHRTXOFQDK-UHFFFAOYSA-N 68469 N-(5-chloropyridin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide::N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]acetamide::SMR000063819::cid_2125057::MLS000054003::N-(5-chloranylpyridin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide::N-(5-chloro-2-pyridyl)-2-[(4-methylthiazol-2-yl)thio]acetamide Aryl hydrocarbon receptor Homo sapiens 1537 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68469 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68469&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2125057 252646645 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135849 O=C(Nc1ccon1)c1cnc2sccn2c1=O InChI=1S/C10H6N4O3S/c15-8(12-7-1-3-17-13-7)6-5-11-10-14(9(6)16)2-4-18-10/h1-5H,(H,12,13,15) MOYQTOIZVLAVJN-UHFFFAOYSA-N 75452 N-(1,2-oxazol-3-yl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide::N-(3-isoxazolyl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide::N-isoxazol-3-yl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide::MLS000092095::N-(1,2-oxazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide::SMR000027001::cid_3236177::N-isoxazol-3-yl-5-keto-thiazolo[3,2-a]pyrimidine-6-carboxamide Aryl hydrocarbon receptor Homo sapiens 1851 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75452 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75452&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3236177 252652660 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135850 Nc1[nH]ncc1C(=O)Nc1cccc(c1)C(F)(F)F InChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18) SJRSJUWOLAGGDE-UHFFFAOYSA-N 59652 5-azanyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide::MLS000085979::SMR000021308::cid_1263586::5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide Aryl hydrocarbon receptor Homo sapiens 12542 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59652 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59652&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1263586 252639286 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135851 COC(=O)c1ccccc1NC(=O)Cn1ccnc1 InChI=1S/C13H13N3O3/c1-19-13(18)10-4-2-3-5-11(10)15-12(17)8-16-7-6-14-9-16/h2-7,9H,8H2,1H3,(H,15,17) UJVHCIXNLMVXFA-UHFFFAOYSA-N 75453 methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate::2-(2-Imidazol-1-yl-acetylamino)-benzoic acid methyl ester::methyl 2-(2-imidazol-1-ylethanoylamino)benzoate::SMR000019319::MLS000084973::cid_674827::2-[[2-(1-imidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester::2-[(2-imidazol-1-ylacetyl)amino]benzoic acid methyl ester Aryl hydrocarbon receptor Homo sapiens 2178 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75453 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75453&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 674827 252652661 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135852 Clc1ccc2oc(nc2c1)-c1cccc(NC(=O)C2CCCO2)c1 InChI=1S/C18H15ClN2O3/c19-12-6-7-15-14(10-12)21-18(24-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-23-16/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,20,22) GTVDSOSBNNLNHW-UHFFFAOYSA-N 75454 N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide::MLS000100066::cid_2976279::SMR000081784::N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]tetrahydro-2-furancarboxamide::N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-oxolanecarboxamide::N-[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide::N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]tetrahydrofuran-2-carboxamide Aryl hydrocarbon receptor Homo sapiens 2578 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75454 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75454&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2976279 252652662 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135853 CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC InChI=1S/C18H20N2O4/c1-4-17(21)19-13-10-16(24-3)14(11-15(13)23-2)20-18(22)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22) OISQOKOTMCSSTC-UHFFFAOYSA-N 75455 N-[2,5-dimethoxy-4-(propanoylamino)phenyl]benzamide::SMR000075859::MLS000064056::N-[2,5-dimethoxy-4-(propionylamino)phenyl]benzamide::N-[2,5-dimethoxy-4-(1-oxopropylamino)phenyl]benzamide::cid_1291333::N-(2,5-dimethoxy-4-propionamido-phenyl)benzamide Aryl hydrocarbon receptor Homo sapiens 1854 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75455 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75455&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1291333 252652663 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135854 CN(C)c1nc(N)nc(n1)-c1nc2ccccc2s1 InChI=1S/C12H12N6S/c1-18(2)12-16-9(15-11(13)17-12)10-14-7-5-3-4-6-8(7)19-10/h3-6H,1-2H3,(H2,13,15,16,17) RTZTYHJWJXYHPK-UHFFFAOYSA-N 37443 6-(1,3-benzothiazol-2-yl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine::6-(1,3-benzothiazol-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine::MLS000099945::cid_1249482::SMR000081123::6-(1,3-benzothiazol-2-yl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine::[4-amino-6-(1,3-benzothiazol-2-yl)-s-triazin-2-yl]-dimethyl-amine Aryl hydrocarbon receptor Homo sapiens 844.89 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37443 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37443&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1249482 252618414 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135855 Clc1ccc(Nc2nc(cs2)-c2cccs2)nc1 InChI=1S/C12H8ClN3S2/c13-8-3-4-11(14-6-8)16-12-15-9(7-18-12)10-2-1-5-17-10/h1-7H,(H,14,15,16) OSWCDUQDLSLAGR-UHFFFAOYSA-N 49288 5-chloro-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-2-pyridinamine::N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-2-thiazolamine::N-(5-chloropyridin-2-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine::MLS000064746::cid_2214576::N-(5-chloranylpyridin-2-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine::SMR000077573::(5-chloro-2-pyridyl)-[4-(2-thienyl)thiazol-2-yl]amine Aryl hydrocarbon receptor Homo sapiens 1578 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49288 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49288&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2214576 252629569 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135856 CC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 InChI=1S/C16H15FN2O3/c1-11(20)18-14-3-2-4-15(9-14)22-10-16(21)19-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21) MWXQRNJKMHHKND-UHFFFAOYSA-N 75456 SMR000071804::MLS000088428::2-[3-(acetylamino)phenoxy]-N-(4-fluorophenyl)acetamide::cid_897065::2-(3-acetamidophenoxy)-N-(4-fluorophenyl)ethanamide::2-(3-acetamidophenoxy)-N-(4-fluorophenyl)acetamide Aryl hydrocarbon receptor Homo sapiens 10579 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75456 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75456&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 897065 252652664 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135857 COc1ccc(cc1)N1CCN(CC1)c1cc(C)c2ccc(O)cc2n1 InChI=1S/C21H23N3O2/c1-15-13-21(22-20-14-17(25)5-8-19(15)20)24-11-9-23(10-12-24)16-3-6-18(26-2)7-4-16/h3-8,13-14,25H,9-12H2,1-2H3 KKKQJQHYCBKAGK-UHFFFAOYSA-N 75457 2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-methyl-1H-quinolin-7-one::cid_6324543::SMR000095258::MLS000118316::2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-quinolin-7-one::2-[4-(4-methoxyphenyl)piperazino]-4-methyl-1H-quinolin-7-one Aryl hydrocarbon receptor Homo sapiens 3471 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75457 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75457&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6324543 252652665 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135858 Cc1nc2nc(C)cc(Nc3ccc(Br)cc3)n2n1 InChI=1S/C13H12BrN5/c1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19/h3-7,17H,1-2H3 NWZGBKYKGPGJOQ-UHFFFAOYSA-N 75458 MLS000116653::cid_5307801::N-(4-bromophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine::SMR000093617::(4-bromophenyl)-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amine Aryl hydrocarbon receptor Homo sapiens 116.66 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75458 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75458&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5307801 252652666 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135859 CN1CCN(CCCNC(=O)c2cc3c(nn(C)c3s2)-c2ccc(Cl)cc2)CC1 InChI=1S/C21H26ClN5OS/c1-25-10-12-27(13-11-25)9-3-8-23-20(28)18-14-17-19(24-26(2)21(17)29-18)15-4-6-16(22)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,23,28) BDBKSQZFDAPJNK-UHFFFAOYSA-N 43585 3-(4-chlorophenyl)-1-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide::SMR000094249::MLS000117299::3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide::cid_5308230::3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperazino)propyl]thieno[2,3-c]pyrazole-5-carboxamide Aryl hydrocarbon receptor Homo sapiens 482.93 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43585 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43585&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5308230 252624262 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135860 CCCCc1cc2c3ccccc3oc(=O)c2c(NC(C)=O)n1 InChI=1S/C18H18N2O3/c1-3-4-7-12-10-14-13-8-5-6-9-15(13)23-18(22)16(14)17(20-12)19-11(2)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,20,21) NRBBJNHUAQLSTQ-UHFFFAOYSA-N 75459 N-(2-butyl-5-oxochromeno[3,4-c]pyridin-4-yl)acetamide::N-(2-butyl-5-oxidanylidene-chromeno[3,4-c]pyridin-4-yl)ethanamide::MLS000114650::N-(2-butyl-5-oxo-4-[1]benzopyrano[3,4-c]pyridinyl)acetamide::cid_4606605::SMR000091998::N-(2-butyl-5-keto-chromeno[3,4-c]pyridin-4-yl)acetamide Aryl hydrocarbon receptor Homo sapiens 3246 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75459 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75459&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 4606605 252652667 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135861 Cc1ccc(cc1C)-n1c(=O)[nH]cc(C(=O)Nc2ccc3OCOc3c2)c1=O InChI=1S/C20H17N3O5/c1-11-3-5-14(7-12(11)2)23-19(25)15(9-21-20(23)26)18(24)22-13-4-6-16-17(8-13)28-10-27-16/h3-9H,10H2,1-2H3,(H,21,26)(H,22,24) YPWGATKMPLJETN-UHFFFAOYSA-N 75460 MLS000102809::N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide::SMR000016950::cid_5044706::N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxamide::N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-2,4-diketo-1H-pyrimidine-5-carboxamide Aryl hydrocarbon receptor Homo sapiens 7752 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75460 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75460&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5044706 252652668 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135862 NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1 InChI=1S/C16H11FN2O3/c17-10-7-5-9(6-8-10)16(21)19-13-11-3-1-2-4-12(11)22-14(13)15(18)20/h1-8H,(H2,18,20)(H,19,21) SUKPTNGJUYNFIG-UHFFFAOYSA-N 42855 3-[(4-fluorobenzoyl)amino]-1-benzofuran-2-carboxamide::cid_3273996::3-[(4-fluorophenyl)carbonylamino]-1-benzofuran-2-carboxamide::SMR000018558::3-[[(4-fluorophenyl)-oxomethyl]amino]-2-benzofurancarboxamide::MLS000102893::3-[(4-fluorobenzoyl)amino]coumarilamide Aryl hydrocarbon receptor Homo sapiens 4119 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=42855 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=42855&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3273996 252623545 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135863 O=C(Nc1ccc2OCOc2c1)c1ccncc1 InChI=1S/C13H10N2O3/c16-13(9-3-5-14-6-4-9)15-10-1-2-11-12(7-10)18-8-17-11/h1-7H,8H2,(H,15,16) MEVFOXKUDRIVLT-UHFFFAOYSA-N 75461 N-(1,3-benzodioxol-5-yl)-4-pyridinecarboxamide::cid_756817::MLS000104921::N-(1,3-benzodioxol-5-yl)pyridine-4-carboxamide::SMR000054851::N-(1,3-benzodioxol-5-yl)isonicotinamide Aryl hydrocarbon receptor Homo sapiens 25294 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75461 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75461&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 756817 252652669 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135864 Brc1ccc2ncnc(Nc3ccc(cc3)N3CCOCC3)c2c1 InChI=1S/C18H17BrN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22) RMKXGPDFRHFPOK-UHFFFAOYSA-N 37255 6-bromo-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine::SMR000108645::6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine::6-bromanyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine::MLS000112735::cid_1189450::(6-bromoquinazolin-4-yl)-(4-morpholinophenyl)amine Aryl hydrocarbon receptor Homo sapiens 1142 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37255 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37255&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1189450 252618226 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135865 Cc1cc(C)nc(Nc2ncc(O)n2-c2ccccc2)n1 InChI=1S/C15H15N5O/c1-10-8-11(2)18-14(17-10)19-15-16-9-13(21)20(15)12-6-4-3-5-7-12/h3-9,21H,1-2H3,(H,16,17,18,19) HGZRZNWWNWCXBT-UHFFFAOYSA-N 75462 MLS000123954::2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-phenyl-3H-imidazol-4-ol::SMR000124454::2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylimidazol-4-ol::2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-phenyl-4-imidazolol::cid_920218::2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenyl-imidazol-4-ol Aryl hydrocarbon receptor Homo sapiens 9355 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75462 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75462&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 920218 252652670 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135866 O=C1c2ccccc2-c2nc3ccccc3nc12 InChI=1S/C15H8N2O/c18-15-10-6-2-1-5-9(10)13-14(15)17-12-8-4-3-7-11(12)16-13/h1-8H GUGBQOJXKJAMTE-UHFFFAOYSA-N 75463 cid_23386::11-indeno[1,2-b]quinoxalinone::MLS000067615::SMR000115871::indeno[1,2-b]quinoxalin-11-one Aryl hydrocarbon receptor Homo sapiens 1218 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75463 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75463&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 23386 252652671 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135867 N(c1nc(cs1)-c1ccccn1)c1ccccc1 InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)16-14-17-13(10-18-14)12-8-4-5-9-15-12/h1-10H,(H,16,17) VZHGZKUEVAANEJ-UHFFFAOYSA-N 50264073 CHEMBL490592::cid_873000::N-phenyl-4-(pyridin-2-yl)thiazol-2-amine::N-Phenyl-4-(2-pyridinyl)-1,3-thiazol-2-amine Aryl hydrocarbon receptor Homo sapiens >10190 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264073 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264073&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 873000 104112195 CHEMBL490592 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135868 COc1ccc(cc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC InChI=1S/C21H20N2O6/c1-26-14-8-6-13(7-9-14)20(24)22-15-11-19(28-3)16(12-18(15)27-2)23-21(25)17-5-4-10-29-17/h4-12H,1-3H3,(H,22,24)(H,23,25) RVXPVWMMLRIREY-UHFFFAOYSA-N 55378 N-[2,5-dimethoxy-4-[(4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide::MLS000525797::cid_3169045::Furan-2-carboxylic acid [2,5-dimethoxy-4-(4-methoxy-benzoylamino)-phenyl]-amide::N-[2,5-dimethoxy-4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide::SMR000116271::N-[2,5-dimethoxy-4-[(4-methoxyphenyl)carbonylamino]phenyl]furan-2-carboxamide::N-[2,5-dimethoxy-4-(p-anisoylamino)phenyl]-2-furamide Aryl hydrocarbon receptor Homo sapiens 1756 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=55378 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=55378&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3169045 252635377 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135869 CC(=O)Nc1cccc2C(=O)N(C(=O)c12)c1ccc(C)cc1 InChI=1S/C17H14N2O3/c1-10-6-8-12(9-7-10)19-16(21)13-4-3-5-14(18-11(2)20)15(13)17(19)22/h3-9H,1-2H3,(H,18,20) BZSSWJNPCNECQE-UHFFFAOYSA-N 75464 cid_765586::N-[2-(4-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide::MLS000549443::N-[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]acetamide::N-[2-(4-methylphenyl)-1,3-bis(oxidanylidene)isoindol-4-yl]ethanamide::N-[2-(4-methylphenyl)-1,3-dioxo-4-isoindolyl]acetamide::SMR000114687::N-[1,3-diketo-2-(p-tolyl)isoindolin-4-yl]acetamide Aryl hydrocarbon receptor Homo sapiens 1088 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75464 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75464&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 765586 252652672 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135870 COc1cc2nc(cc(O)c2cc1OC)-c1cccc(F)c1 InChI=1S/C17H14FNO3/c1-21-16-7-12-14(9-17(16)22-2)19-13(8-15(12)20)10-4-3-5-11(18)6-10/h3-9H,1-2H3,(H,19,20) MZGIIDYXTJWDSR-UHFFFAOYSA-N 75465 cid_9547814::2-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-4-one::SMR000129077::MLS000517795::2-(3-fluorophenyl)-6,7-dimethoxy-4-quinolone Aryl hydrocarbon receptor Homo sapiens 5438 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75465 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75465&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 9547814 252652673 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135871 CC(=O)c1noc(C)c1C(=O)Nc1nccs1 InChI=1S/C10H9N3O3S/c1-5(14)8-7(6(2)16-13-8)9(15)12-10-11-3-4-17-10/h3-4H,1-2H3,(H,11,12,15) DCCOBTUXCVVDMN-UHFFFAOYSA-N 75466 3-acetyl-5-methyl-N-(2-thiazolyl)-4-isoxazolecarboxamide::3-acetyl-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide::3-ethanoyl-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide::3-acetyl-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide::MLS000540282::SMR000125540::cid_4219136::3-acetyl-5-methyl-N-thiazol-2-yl-isoxazole-4-carboxamide Aryl hydrocarbon receptor Homo sapiens 6465 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75466 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75466&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 4219136 252652674 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135872 Cc1nccc(n1)-c1ccc(cc1)-n1cnc2ccccc12 InChI=1S/C18H14N4/c1-13-19-11-10-16(21-13)14-6-8-15(9-7-14)22-12-20-17-4-2-3-5-18(17)22/h2-12H,1H3 DXNCAHDHRPSVKE-UHFFFAOYSA-N 75467 1-[4-(2-methyl-4-pyrimidinyl)phenyl]-1H-1,3-benzimidazole::SMR000126133::cid_1477797::1-[4-(2-methyl-4-pyrimidinyl)phenyl]benzimidazole::MLS000541275::1-[4-(2-methylpyrimidin-4-yl)phenyl]benzimidazole Aryl hydrocarbon receptor Homo sapiens >1132 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75467 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75467&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1477797 252652675 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135873 COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)N(C)C(C)=O InChI=1S/C17H17ClN2O3/c1-11(21)20(2)14-7-5-13(6-8-14)19-17(22)15-10-12(18)4-9-16(15)23-3/h4-10H,1-3H3,(H,19,22) WEFGNFJOUYOQLP-UHFFFAOYSA-N 75468 cid_670792::N-[4-[acetyl(methyl)amino]phenyl]-5-chloro-2-methoxybenzamide::5-chloranyl-N-[4-[ethanoyl(methyl)amino]phenyl]-2-methoxy-benzamide::SMR000141771::N-{4-[acetyl(methyl)amino]phenyl}-5-chloro-2-methoxybenzamide::MLS000534334::N-[4-[acetyl(methyl)amino]phenyl]-5-chloro-2-methoxy-benzamide Aryl hydrocarbon receptor Homo sapiens 2814 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75468 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75468&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 670792 252652676 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135874 O=C(NC1CCCC1)c1cc2c(ccc3ccccc23)o1 InChI=1S/C18H17NO2/c20-18(19-13-6-2-3-7-13)17-11-15-14-8-4-1-5-12(14)9-10-16(15)21-17/h1,4-5,8-11,13H,2-3,6-7H2,(H,19,20) VPROQYQBNVRYST-UHFFFAOYSA-N 75469 N-cyclopentylnaphtho[2,1-b]furan-2-carboxamide::cid_749682::SMR000141513::N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide::MLS000534075::N-cyclopentyl-2-benzo[e]benzofurancarboxamide::N-cyclopentylbenzo[e]benzofuran-2-carboxamide Aryl hydrocarbon receptor Homo sapiens 2803 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75469 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75469&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 749682 252652677 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135875 CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O InChI=1S/C16H16N4O2/c1-3-22-12-6-4-11(5-7-12)13-8-10(2)20-15(18-13)9-14(19-20)16(17)21/h4-9H,3H2,1-2H3,(H2,17,21) BXIZJGZAEAKYFL-UHFFFAOYSA-N 59156 cid_726942::6072484 Aryl hydrocarbon receptor Homo sapiens 2630 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59156 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59156&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 726942 125082122 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135876 COc1ccccc1C(=O)Nc1ccc(cc1)N1CCCCC1 InChI=1S/C19H22N2O2/c1-23-18-8-4-3-7-17(18)19(22)20-15-9-11-16(12-10-15)21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22) AKQRIMAIGHZUEL-UHFFFAOYSA-N 75470 cid_880469::SMR000141415::2-methoxy-N-(4-piperidin-1-ylphenyl)benzamide::MLS000533979::2-methoxy-N-[4-(1-piperidinyl)phenyl]benzamide::2-methoxy-N-(4-piperidinophenyl)benzamide Aryl hydrocarbon receptor Homo sapiens 2907 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75470 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75470&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 880469 252652678 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135877 [O-]n1[o+]nc2c1ccc1nnc(cc21)-c1ccccc1 InChI=1S/C14H8N4O2/c19-18-13-7-6-11-10(14(13)17-20-18)8-12(16-15-11)9-4-2-1-3-5-9/h1-8H XUNOBGQFCQNOPJ-UHFFFAOYSA-N 75471 SMR000146632::8-Phenyl-2-oxa-1,3,6,7-tetraaza-cyclopenta[a]naphthalene 3-oxide::3-oxido-8-phenyl-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium::cid_6401684::3-oxidanidyl-8-phenyl-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium::MLS000554315::3-oxido-8-phenyl-furazano[3,4-f]cinnolin-3-ium Aryl hydrocarbon receptor Homo sapiens 1483 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75471 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75471&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6401684 252652679 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135878 CCOC(=O)c1oc2ccccc2c1N InChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3 PWOARNMOPCOJEV-UHFFFAOYSA-N 75472 ethyl 3-azanyl-1-benzofuran-2-carboxylate::MLS000569389::cid_2063537::ethyl 3-amino-1-benzofuran-2-carboxylate::SMR000155002::3-amino-2-benzofurancarboxylic acid ethyl ester::3-aminocoumarilic acid ethyl ester Aryl hydrocarbon receptor Homo sapiens 7434 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75472 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75472&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2063537 252652680 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135879 CC(=O)n1cc(C=NNC(=O)c2sc(C)nc2C)c2ccccc12 InChI=1S/C17H16N4O2S/c1-10-16(24-11(2)19-10)17(23)20-18-8-13-9-21(12(3)22)15-7-5-4-6-14(13)15/h4-9H,1-3H3,(H,20,23) SENCRTQZPSCASX-UHFFFAOYSA-N 75473 SMR000155664::N-[(1-ethanoylindol-3-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide::MLS000536788::cid_2337793::N-[(1-acetylindol-3-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide::N-[(1-acetyl-3-indolyl)methylideneamino]-2,4-dimethyl-5-thiazolecarboxamide::N-[(1-acetylindol-3-yl)methyleneamino]-2,4-dimethyl-thiazole-5-carboxamide Aryl hydrocarbon receptor Homo sapiens >91661 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75473 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75473&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2337793 252652681 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135880 Cc1ccc(-c2cc([nH]n2)-c2cccs2)c(O)c1 InChI=1S/C14H12N2OS/c1-9-4-5-10(13(17)7-9)11-8-12(16-15-11)14-3-2-6-18-14/h2-8,17H,1H3,(H,15,16) GJSKWHZFSLFJED-UHFFFAOYSA-N 49478 SMR000154620::cid_6708864::(6Z)-3-methyl-6-(5-thiophen-2-yl-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone::(6Z)-3-methyl-6-(5-thiophen-2-yl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one::MLS000568471::(6Z)-3-methyl-6-[5-(2-thienyl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Aryl hydrocarbon receptor Homo sapiens 1208 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49478 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49478&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6708864 252629754 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135881 Cc1nc(C)c(s1)C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10| InChI=1S/C15H14N4OS/c1-9-14(21-10(2)18-9)15(20)19-17-8-11-7-16-13-6-4-3-5-12(11)13/h3-8,16H,1-2H3,(H,19,20) LTVMIHPNYPCMLQ-UHFFFAOYSA-N 75474 MLS000536798::SMR000155665::N'-[(Z)-indol-3-ylidenemethyl]-2,4-dimethyl-1,3-thiazole-5-carbohydrazide::cid_6508152::N'-[(Z)-3-indolylidenemethyl]-2,4-dimethyl-5-thiazolecarbohydrazide::N'-[(Z)-indol-3-ylidenemethyl]-2,4-dimethyl-thiazole-5-carbohydrazide Aryl hydrocarbon receptor Homo sapiens >91661 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75474 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75474&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6508152 252652682 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135882 COc1cc2c(cc1NC(=O)Nc1ccc(C)cc1)oc1ccccc21 InChI=1S/C21H18N2O3/c1-13-7-9-14(10-8-13)22-21(24)23-17-12-19-16(11-20(17)25-2)15-5-3-4-6-18(15)26-19/h3-12H,1-2H3,(H2,22,23,24) NHUFMLBHTYMPIW-UHFFFAOYSA-N 75475 1-(2-methoxy-3-dibenzofuranyl)-3-(4-methylphenyl)urea::1-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)urea::cid_4197825::SMR000159797::MLS000537093::N-(2-methoxydibenzo[b,d]furan-3-yl)-N'-(4-methylphenyl)urea::1-(2-methoxydibenzofuran-3-yl)-3-(p-tolyl)urea Aryl hydrocarbon receptor Homo sapiens 1469 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75475 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75475&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 4197825 252652683 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135883 Cc1nc(N)nc(Nc2ccc(Cl)cc2)c1Br InChI=1S/C11H10BrClN4/c1-6-9(12)10(17-11(14)15-6)16-8-4-2-7(13)3-5-8/h2-5H,1H3,(H3,14,15,16,17) WLUWADRUYNDGJO-UHFFFAOYSA-N 75476 5-bromo-N~4~-(4-chlorophenyl)-6-methyl-2,4-pyrimidinediamine::5-bromo-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine::SMR000180460::MLS000327539::cid_1487824::5-bromo-N4-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine::5-bromanyl-N4-(4-chlorophenyl)-6-methyl-pyrimidine-2,4-diamine::(2-amino-5-bromo-6-methyl-pyrimidin-4-yl)-(4-chlorophenyl)amine Aryl hydrocarbon receptor Homo sapiens 350.94 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75476 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75476&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1487824 252652684 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135884 Nc1c(C#N)c(nn1CCO)C(=C/c1ccccc1)\C#N InChI=1S/C15H13N5O/c16-9-12(8-11-4-2-1-3-5-11)14-13(10-17)15(18)20(19-14)6-7-21/h1-5,8,21H,6-7,18H2 YYMAOMQXVYFXEW-UHFFFAOYSA-N 75477 5-amino-3-[(E)-1-cyano-2-phenylethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile::MLS000557648::cid_5756334::SMR000175049::5-azanyl-3-[(E)-1-cyano-2-phenyl-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile::5-Amino-3-(1-cyano-2-phenyl-vinyl)-1-(2-hydroxy-ethyl)-1H-pyrazole-4-carbonitrile::5-amino-3-[(E)-1-cyano-2-phenylethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile::5-amino-3-[(E)-1-cyano-2-phenyl-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Aryl hydrocarbon receptor Homo sapiens 6546 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75477 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75477&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5756334 252652685 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135885 CCOC(=O)Cc1cc(nc2ccc3ccccc3c12)-c1ccc(O)cc1 InChI=1S/C23H19NO3/c1-2-27-22(26)14-17-13-21(16-7-10-18(25)11-8-16)24-20-12-9-15-5-3-4-6-19(15)23(17)20/h3-13,25H,2,14H2,1H3 PEKHDMHLDCARSE-UHFFFAOYSA-N 67931 2-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4H-benzo[f]quinolin-1-yl]acetic acid ethyl ester::ethyl 2-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4H-benzo[f]quinolin-1-yl]ethanoate::ethyl [3-(4-hydroxyphenyl)benzo[f]quinolin-1-yl]acetate::ethyl 2-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4H-benzo[f]quinolin-1-yl]acetate::SMR000186584::cid_5335570::MLS000578795::2-[3-(4-ketocyclohexa-2,5-dien-1-ylidene)-4H-benzo[f]quinolin-1-yl]acetic acid ethyl ester Aryl hydrocarbon receptor Homo sapiens 1466 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=67931 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=67931&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5335570 252646212 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135886 COc1cccc(c1)C(=O)O[N-]C(=[NH2+])c1ccc(cc1)[N+]([O-])=O InChI=1S/C15H12N3O5/c1-22-13-4-2-3-11(9-13)15(19)23-17-14(16)10-5-7-12(8-6-10)18(20)21/h2-9H,1H3,(H-,16,17)/q-1/p+1 JJNWPGFWWRGFQX-UHFFFAOYSA-O 75478 cid_9587156::MLS000575745::[(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 3-methoxybenzoate::3-methoxybenzoic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester::SMR000196781::N'-[(3-methoxybenzoyl)oxy]-4-nitrobenzenecarboximidamide::[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 3-methoxybenzoate::3-methoxybenzoic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Aryl hydrocarbon receptor Homo sapiens 3574 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75478 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75478&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 9587156 252652686 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135887 O=C(NN=Cc1c[nH]c2ccccc12)C1COc2ccccc2O1 |w:3.2| InChI=1S/C18H15N3O3/c22-18(17-11-23-15-7-3-4-8-16(15)24-17)21-20-10-12-9-19-14-6-2-1-5-13(12)14/h1-10,17,19H,11H2,(H,21,22) BEMZLCOGADPGKG-UHFFFAOYSA-N 48711 SMR000185050::N'-(1H-indol-3-ylmethylene)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide::N'-[(Z)-indol-3-ylidenemethyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide::MLS000573118::cid_5781656::N'-[(Z)-3-indolylidenemethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide::N'-[(Z)-indol-3-ylidenemethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Aryl hydrocarbon receptor Homo sapiens 5665 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=48711 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=48711&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5781656 252628998 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135888 Clc1ccc(cc1)C(=O)Nc1ccccc1OC(=O)c1ccc(Cl)cc1 InChI=1S/C20H13Cl2NO3/c21-15-9-5-13(6-10-15)19(24)23-17-3-1-2-4-18(17)26-20(25)14-7-11-16(22)12-8-14/h1-12H,(H,23,24) KDSBZHUJTOUSRK-UHFFFAOYSA-N 75479 2-[(4-chlorobenzoyl)amino]phenyl 4-chlorobenzoate::SMR000184459::[2-[(4-chlorophenyl)carbonylamino]phenyl] 4-chloranylbenzoate::cid_1375607::4-chlorobenzoic acid [2-[[(4-chlorophenyl)-oxomethyl]amino]phenyl] ester::MLS000573208::[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate::4-chlorobenzoic acid [2-[(4-chlorobenzoyl)amino]phenyl] ester Aryl hydrocarbon receptor Homo sapiens 4890 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75479 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75479&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1375607 252652687 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135889 [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cncc(Br)c2)o1 InChI=1S/C17H11BrN4O4/c18-12-7-11(8-19-9-12)17(23)21-20-10-13-5-6-16(26-13)14-3-1-2-4-15(14)22(24)25/h1-10H,(H,21,23) WZTANKODANEIRR-UHFFFAOYSA-N 32292 5-bromo-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide::5-bromo-N-[[5-(2-nitrophenyl)-2-furanyl]methylideneamino]-3-pyridinecarboxamide::SMR000218578::5-bromanyl-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide::MLS000591926::5-Bromo-nicotinic acid [1-[5-(2-nitro-phenyl)-furan-2-yl]-meth-(E)-ylidene]-hydrazide::cid_1914494::5-bromo-N-[[5-(2-nitrophenyl)-2-furyl]methyleneamino]nicotinamide Aryl hydrocarbon receptor Homo sapiens 6712 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32292 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32292&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6883030 252615737 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135890 Oc1oc(nc1C=Nc1nccs1)-c1ccccc1 |w:7.8| InChI=1S/C13H9N3O2S/c17-12-10(8-15-13-14-6-7-19-13)16-11(18-12)9-4-2-1-3-5-9/h1-8,17H UGUIPEONHVWAJQ-UHFFFAOYSA-N 75480 (4Z)-2-phenyl-4-[(2-thiazolylamino)methylidene]-5-oxazolone::SMR000218529::2-Phenyl-4-[1-(thiazol-2-ylamino)-meth-(Z)-ylidene]-4H-oxazol-5-one::cid_5424934::(4Z)-2-phenyl-4-[(1,3-thiazol-2-ylamino)methylidene]-1,3-oxazol-5-one::MLS000591914::(4Z)-2-phenyl-4-[(thiazol-2-ylamino)methylene]-2-oxazolin-5-one Aryl hydrocarbon receptor Homo sapiens 12291 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75480 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75480&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5424934 252652688 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135891 COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1OC |w:8.8| InChI=1S/C16H16N4O2/c1-21-14-8-7-11(9-15(14)22-2)10-17-20-16-18-12-5-3-4-6-13(12)19-16/h3-9H,10H2,1-2H3,(H,18,19) NHBBCAHXEMUWND-UHFFFAOYSA-N 75481 N-[(3,4-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine::SMR000175360::N-(1H-Benzoimidazol-2-yl)-N'-(3,4-dimethoxy-benzylidene)-hydrazine::MLS000562812::cid_3110998::1H-benzimidazol-2-yl-(veratrylideneamino)amine Aryl hydrocarbon receptor Homo sapiens 3462 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75481 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75481&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898138 252652689 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135892 CC(N=Nc1ccc(F)cc1)c1ccc(Cl)s1 |w:3.3| InChI=1S/C12H10ClFN2S/c1-8(11-6-7-12(13)17-11)15-16-10-4-2-9(14)3-5-10/h2-8H,1H3 WBCXPYXKDDHNRP-UHFFFAOYSA-N 75482 N-[1-(5-chloranylthiophen-2-yl)ethylideneamino]-4-fluoranyl-aniline::SMR000206592::MLS000582606::(1Z)-1-(5-chlorothien-2-yl)ethanone (4-fluorophenyl)hydrazone::cid_3272283::N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluoroaniline::N-[1-(5-chloro-2-thiophenyl)ethylideneamino]-4-fluoroaniline::[1-(5-chloro-2-thienyl)ethylideneamino]-(4-fluorophenyl)amine Aryl hydrocarbon receptor Homo sapiens 4707 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75482 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75482&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898139 252652690 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135893 Cc1cc(=O)[nH]c(N=NCc2ccc(Br)s2)n1 |w:7.6| InChI=1S/C10H9BrN4OS/c1-6-4-9(16)14-10(13-6)15-12-5-7-2-3-8(11)17-7/h2-4H,5H2,1H3,(H,13,14,16) MTZXATXOKFHMBO-UHFFFAOYSA-N 75483 2-[2-[(5-bromothiophen-2-yl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one::MLS000586517::5-bromothiophene-2-carbaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone::2-[2-[(5-bromo-2-thiophenyl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one::2-[2-[(5-bromanylthiophen-2-yl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one::SMR000207896::cid_5151744::2-[N'-[(5-bromo-2-thienyl)methylene]hydrazino]-6-methyl-1H-pyrimidin-4-one Aryl hydrocarbon receptor Homo sapiens 8496 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75483 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75483&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898140 252652691 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135894 O=C(NN=Cc1cn(CC#C)c2ccccc12)c1cc2ccccc2o1 InChI=1S/C21H15N3O2/c1-2-11-24-14-16(17-8-4-5-9-18(17)24)13-22-23-21(25)20-12-15-7-3-6-10-19(15)26-20/h1,3-10,12-14H,11H2,(H,23,25) JZQIDSLXLXCION-UHFFFAOYSA-N 75484 cid_921858::Benzofuran-2-carboxylic acid [1-(1-prop-2-ynyl-1H-indol-3-yl)-meth-(E)-ylidene]-hydrazide::N-[(1-prop-2-ynylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide::N-[(1-prop-2-ynyl-3-indolyl)methylideneamino]-2-benzofurancarboxamide::MLS000587256::SMR000211308::N-[(1-propargylindol-3-yl)methyleneamino]coumarilamide Aryl hydrocarbon receptor Homo sapiens 544.01 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75484 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75484&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 921858 252652692 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135895 NNc1nc2sc-3c(CCc4ccccc-34)c2c(=O)[nH]1 InChI=1S/C14H12N4OS/c15-18-14-16-12(19)10-9-6-5-7-3-1-2-4-8(7)11(9)20-13(10)17-14/h1-4H,5-6,15H2,(H2,16,17,18,19) HEIIYFHUJSZIGX-UHFFFAOYSA-N 75485 SMR000211330::MLS000587293::9-Hydrazino-5,8-dihydro-6H-11-thia-8,10-diaza-benzo[a]fluoren-7-one::cid_948125 Aryl hydrocarbon receptor Homo sapiens 373.01 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75485 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75485&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 948125 242053595 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135896 CCN(N=Cc1ccc(Cl)cc1)c1cc(=O)n(C)c(=O)[nH]1 |w:3.2| InChI=1S/C14H15ClN4O2/c1-3-19(12-8-13(20)18(2)14(21)17-12)16-9-10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,17,21) OSHPWVBGYYZDQD-UHFFFAOYSA-N 75486 6-{N'-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-N-ethyl-hydrazino}-3-methyl-1H-pyrimidine-2,4-dione::6-[[(4-chlorophenyl)methylideneamino]-ethyl-amino]-3-methyl-1H-pyrimidine-2,4-dione::SMR000218910::cid_3784808::6-[[(4-chlorophenyl)methylideneamino]-ethylamino]-3-methyl-1H-pyrimidine-2,4-dione::MLS000591319::6-[[(4-chlorobenzylidene)amino]-ethyl-amino]-3-methyl-uracil Aryl hydrocarbon receptor Homo sapiens 1118 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75486 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75486&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 9635811 252652693 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135897 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)-c1nc(no1)-c1ccncc1 InChI=1S/C13H7N5O5/c19-17(20)10-5-9(6-11(7-10)18(21)22)13-15-12(16-23-13)8-1-3-14-4-2-8/h1-7H GJORNZAMFLOHMQ-UHFFFAOYSA-N 75487 cid_1422791::4-[5-(3,5-Dinitro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine::MLS000588444::5-(3,5-dinitrophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole::SMR000219908::5-(3,5-dinitrophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole Aryl hydrocarbon receptor Homo sapiens 2674 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75487 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75487&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1422791 252652694 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135898 O=C(COc1cccc2cccnc12)NN=Cc1cn(CC#C)c2ccccc12 InChI=1S/C23H18N4O2/c1-2-13-27-15-18(19-9-3-4-10-20(19)27)14-25-26-22(28)16-29-21-11-5-7-17-8-6-12-24-23(17)21/h1,3-12,14-15H,13,16H2,(H,26,28) LONDBUMELLWCNR-UHFFFAOYSA-N 75488 N-[(1-prop-2-ynylindol-3-yl)methylideneamino]-2-quinolin-8-yloxy-ethanamide::MLS000331575::N-[(1-prop-2-ynylindol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide::SMR000220642::(Quinolin-8-yloxy)-acetic acid [1-(1-prop-2-ynyl-1H-indol-3-yl)-meth-(E)-ylidene]-hydrazide::N-[(1-prop-2-ynyl-3-indolyl)methylideneamino]-2-(8-quinolinyloxy)acetamide::cid_1985994::N-[(1-propargylindol-3-yl)methyleneamino]-2-(8-quinolyloxy)acetamide Aryl hydrocarbon receptor Homo sapiens >377.15 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75488 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75488&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1985994 252652695 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135899 COc1cccc2c1[nH]c1c(N)cccc1c2=O InChI=1S/C14H12N2O2/c1-18-11-7-3-5-9-13(11)16-12-8(14(9)17)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,17) BCNHTZRTLWNPMJ-UHFFFAOYSA-N 583 MLS000705222::4-amino-5-methoxy-9(10H)-acridinone::SMR000231830::cid_5180537 Aryl hydrocarbon receptor Homo sapiens >91762 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=583 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=583&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 78378177 8030481 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135900 COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1nnc(s1)C1CC1 InChI=1S/C14H12N4O5S/c1-23-13(20)9-4-8(5-10(6-9)18(21)22)11(19)15-14-17-16-12(24-14)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,17,19) CZDSQEFDQQFLLQ-UHFFFAOYSA-N 75489 SMR000250142::MLS000335393::cid_4983475::methyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate::methyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate::3-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester::3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Aryl hydrocarbon receptor Homo sapiens 3018 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75489 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75489&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 4983475 252652696 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135901 Nc1c(oc2ccccc12)C(=O)c1ccc(Br)cc1 InChI=1S/C15H10BrNO2/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2 YTPPDEUSISZRMO-UHFFFAOYSA-N 75490 cid_2916909::(3-azanyl-1-benzofuran-2-yl)-(4-bromophenyl)methanone::MLS000665450::(3-amino-2-benzofuranyl)-(4-bromophenyl)methanone::SMR000270690::(3-amino-1-benzofuran-2-yl)(4-bromophenyl)methanone::(3-amino-1-benzofuran-2-yl)-(4-bromophenyl)methanone::(3-aminobenzofuran-2-yl)-(4-bromophenyl)methanone Aryl hydrocarbon receptor Homo sapiens 3298 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75490 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75490&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2916909 252652697 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135902 CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl InChI=1S/C18H18ClN3O/c1-3-7-15-16(19)17(22(2)21-15)18(23)20-14-11-6-9-12-8-4-5-10-13(12)14/h4-6,8-11H,3,7H2,1-2H3,(H,20,23) MGWYMWNIFOQFNG-UHFFFAOYSA-N 75491 4-chloro-2-methyl-N-(1-naphthalenyl)-5-propyl-3-pyrazolecarboxamide::MLS000704022::4-chloro-2-methyl-N-naphthalen-1-yl-5-propylpyrazole-3-carboxamide::4-chloro-1-methyl-N-(1-naphthyl)-3-propyl-1H-pyrazole-5-carboxamide::cid_850357::SMR000229910::4-chloranyl-2-methyl-N-naphthalen-1-yl-5-propyl-pyrazole-3-carboxamide::4-chloro-2-methyl-N-(1-naphthyl)-5-propyl-pyrazole-3-carboxamide Aryl hydrocarbon receptor Homo sapiens 5222 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75491 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75491&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 850357 252652698 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135903 Oc1ccc2ccc(=O)oc2c1C(=O)\C=C/c1cccs1 InChI=1S/C16H10O4S/c17-12-6-3-10-4-8-14(19)20-16(10)15(12)13(18)7-5-11-2-1-9-21-11/h1-9,17H YIEQCEHJISSTDA-UHFFFAOYSA-N 75492 7-hydroxy-8-[(Z)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-benzopyran-2-one::MLS000705614::7-hydroxy-8-[(Z)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one::7-oxidanyl-8-[(Z)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one::7-hydroxy-8-[3-(2-thienyl)acryloyl]-2H-chromen-2-one::cid_11840027::SMR000231661::7-hydroxy-8-[(Z)-3-(2-thienyl)acryloyl]coumarin Aryl hydrocarbon receptor Homo sapiens 3408 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75492 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75492&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 11840027 252652699 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135904 CC(C=Cc1cccc(c1)[N+]([O-])=O)=NNC(=O)c1cccnc1 |w:13.14,3.3| InChI=1S/C16H14N4O3/c1-12(18-19-16(21)14-5-3-9-17-11-14)7-8-13-4-2-6-15(10-13)20(22)23/h2-11H,1H3,(H,19,21) IGPPGDZUXAZAEQ-UHFFFAOYSA-N 75493 MLS000702861::SMR000225658::N'-(3-{3-nitrophenyl}-1-methyl-2-propenylidene)nicotinohydrazide::N-[[(E)-4-(3-nitrophenyl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide::N-[[(E)-4-(3-nitrophenyl)but-3-en-2-ylidene]amino]-3-pyridinecarboxamide::cid_831168::N-[[(E)-1-methyl-3-(3-nitrophenyl)prop-2-enylidene]amino]nicotinamide Aryl hydrocarbon receptor Homo sapiens >91649 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75493 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75493&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6948449 252652700 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135905 COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1 InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(18)17-14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3,(H,17,18) AGWCBNJDPXUGEN-UHFFFAOYSA-N 75494 MLS000700056::cid_710605::N-(2,4-dimethoxyphenyl)-4-methylbenzamide::SMR000227551::N-(2,4-dimethoxyphenyl)-4-methyl-benzamide Aryl hydrocarbon receptor Homo sapiens 3777 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75494 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75494&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 710605 252652701 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135906 Cc1ccc(Nc2ncccc2C(N)=O)cc1 InChI=1S/C13H13N3O/c1-9-4-6-10(7-5-9)16-13-11(12(14)17)3-2-8-15-13/h2-8H,1H3,(H2,14,17)(H,15,16) QSBJMVSZUKBBIL-UHFFFAOYSA-N 75495 MLS000700317::2-(4-methylanilino)-3-pyridinecarboxamide::2-(4-methylanilino)pyridine-3-carboxamide::2-(4-toluidino)nicotinamide::SMR000226873::cid_901941::2-[(4-methylphenyl)amino]pyridine-3-carboxamide::2-(p-toluidino)nicotinamide Aryl hydrocarbon receptor Homo sapiens 1364 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75495 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75495&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 901941 252652702 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135907 Cc1ccc(NC(=S)c2nc3ccccc3[nH]2)c(C)c1 InChI=1S/C16H15N3S/c1-10-7-8-12(11(2)9-10)19-16(20)15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,17,18)(H,19,20) XNGQZWJRKDZMEC-UHFFFAOYSA-N 57731 SMR000270136::MLS000662692::cid_1328006::N-(2,4-dimethylphenyl)-1H-benzimidazole-2-carbothioamide Aryl hydrocarbon receptor Homo sapiens 3653 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57731 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=57731&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1328006 252637651 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135908 [O-][N+](=O)c1ccc2nc(NC(=O)CN3CCOCC3)sc2c1 InChI=1S/C13H14N4O4S/c18-12(8-16-3-5-21-6-4-16)15-13-14-10-2-1-9(17(19)20)7-11(10)22-13/h1-2,7H,3-6,8H2,(H,14,15,18) UHIUSKATQDRPGM-UHFFFAOYSA-N 75496 2-morpholin-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide::2-(4-morpholinyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide::2-morpholin-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide::MLS000708990::cid_883409::SMR000289757::2-morpholino-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Aryl hydrocarbon receptor Homo sapiens 2615 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75496 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75496&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 883409 252652703 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135909 CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 InChI=1S/C15H14ClN3O3S/c1-2-13(20)19-15(23)17-9-5-6-11(10(16)8-9)18-14(21)12-4-3-7-22-12/h3-8H,2H2,1H3,(H,18,21)(H2,17,19,20,23) ACPMLJLQLGEKHV-UHFFFAOYSA-N 75497 SMR000269696::N-[2-chloro-4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide::MLS000684512::N-[2-chloranyl-4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide::N-[2-chloro-4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide::N-(2-chloro-4-{[(propionylamino)carbonothioyl]amino}phenyl)-2-furamide::cid_1345009::N-[2-chloro-4-(propionylthiocarbamoylamino)phenyl]-2-furamide Aryl hydrocarbon receptor Homo sapiens 4466 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75497 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75497&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1345009 252652704 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135910 O=C(NN=Cc1ccco1)c1ccc(o1)C(=O)NN=Cc1ccco1 |w:3.2,18.19| InChI=1S/C16H12N4O5/c21-15(19-17-9-11-3-1-7-23-11)13-5-6-14(25-13)16(22)20-18-10-12-4-2-8-24-12/h1-10H,(H,19,21)(H,20,22) VLIVNEKBOTWJJM-UHFFFAOYSA-N 47615 SMR000227616::MLS000702587::N'~2~,N'~5~-bis(2-furylmethylene)-2,5-furandicarbohydrazide::cid_840668::N2,N5-bis(furan-2-ylmethylideneamino)furan-2,5-dicarboxamide::2-N,5-N-bis(furan-2-ylmethylideneamino)furan-2,5-dicarboxamide::N2,N5-bis(2-furanylmethylideneamino)furan-2,5-dicarboxamide::N,N'-bis(2-furfurylideneamino)furan-2,5-dicarboxamide Aryl hydrocarbon receptor Homo sapiens 5214 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47615 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47615&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6874196 252627923 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135911 [O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1 InChI=1S/C14H8BrN3O3S/c15-8-1-3-9(4-2-8)16-14-17-13(19)11-7-10(18(20)21)5-6-12(11)22-14/h1-7H,(H,16,17,19) LHBSPTJKFVAZFI-UHFFFAOYSA-N 50447 MLS000590827::2-[(E)-4-Bromo-phenylimino]-6-nitro-2H-benzo[e][1,3]thiazin-4-ol::SMR000217709::2-[(4-bromophenyl)amino]-6-nitro-1,3-benzothiazin-4-one::cid_1420246::2-(4-bromoanilino)-6-nitro-1,3-benzothiazin-4-one Aryl hydrocarbon receptor Homo sapiens 5111 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1420246 252630707 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135912 Clc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1 InChI=1S/C12H9Cl2N3O/c13-8-4-9(14)6-11(5-8)17-12(18)16-10-2-1-3-15-7-10/h1-7H,(H2,16,17,18) YCNUSBREZUWZEV-UHFFFAOYSA-N 57828 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea::SMR000297726::1-[3,5-bis(chloranyl)phenyl]-3-pyridin-3-yl-urea::MLS000679320::cid_6468481::1-(3,5-dichlorophenyl)-3-(3-pyridinyl)urea::N-(3,5-dichlorophenyl)-N'-3-pyridinylurea::1-(3,5-dichlorophenyl)-3-(3-pyridyl)urea Aryl hydrocarbon receptor Homo sapiens >1131 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57828 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=57828&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6468481 252637748 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135913 COc1ccc(C)cc1N=C(N)Nc1nc(C)cc(C)n1 |w:9.9| InChI=1S/C15H19N5O/c1-9-5-6-13(21-4)12(7-9)19-14(16)20-15-17-10(2)8-11(3)18-15/h5-8H,1-4H3,(H3,16,17,18,19,20) KIZUXAWHEGBAJW-UHFFFAOYSA-N 75498 2-(4,6-dimethyl-2-pyrimidinyl)-1-(2-methoxy-5-methylphenyl)guanidine::2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-5-methylphenyl)guanidine::cid_9586767::SMR000284678::MLS000688702::2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-5-methyl-phenyl)guanidine Aryl hydrocarbon receptor Homo sapiens 3950 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75498 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75498&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 9586767 252652705 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135914 COc1ccccc1NC(=O)Nc1cccnc1 InChI=1S/C13H13N3O2/c1-18-12-7-3-2-6-11(12)16-13(17)15-10-5-4-8-14-9-10/h2-9H,1H3,(H2,15,16,17) GXPNSFDRGMRUJM-UHFFFAOYSA-N 75499 SMR000288090::cid_808190::1-(2-methoxyphenyl)-3-pyridin-3-ylurea::MLS000709623::1-(2-methoxyphenyl)-3-pyridin-3-yl-urea::1-(2-methoxyphenyl)-3-(3-pyridinyl)urea::1-(2-methoxyphenyl)-3-(3-pyridyl)urea Aryl hydrocarbon receptor Homo sapiens 2252 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75499 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75499&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 808190 252652706 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135915 COc1ccccc1NC(=O)c1ccc2n(C)nnc2c1 InChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20) PNMQAMJBTQULHL-UHFFFAOYSA-N 75500 N-(2-methoxyphenyl)-1-methyl-5-benzotriazolecarboxamide::SMR000278751::MLS000856806::cid_1088600::N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide::N-(2-methoxyphenyl)-1-methyl-benzotriazole-5-carboxamide Aryl hydrocarbon receptor Homo sapiens 195.21 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75500 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75500&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1088600 252652707 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135916 CC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 InChI=1S/C11H10ClN3O/c1-7(16)13-11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16) IIKSZRFVYVTNHL-UHFFFAOYSA-N 28908 N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]acetamide::N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide::acetamide, 7 Aryl hydrocarbon receptor Homo sapiens 1804 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=28908 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=28908&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 794164 58098096 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135917 CN1CCN(CC1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 InChI=1S/C20H20ClN3OS/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)22-20(25)19-18(21)16-4-2-3-5-17(16)26-19/h2-9H,10-13H2,1H3,(H,22,25) PQXJTUXHWHJQBX-UHFFFAOYSA-N 75501 3-chloro-N-[4-(4-methyl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide::MLS000708269::cid_1086050::3-chloranyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide::SMR000287736::3-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide::3-chloro-N-[4-(4-methylpiperazino)phenyl]benzothiophene-2-carboxamide Aryl hydrocarbon receptor Homo sapiens >377.15 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75501 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75501&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1086050 252652708 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135918 COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(O)=O)c1OC InChI=1S/C24H20FN3O6/c1-33-19-11-8-16(20(24(31)32)21(19)34-2)13-26-28-23(30)15-4-3-5-18(12-15)27-22(29)14-6-9-17(25)10-7-14/h3-13H,1-2H3,(H,27,29)(H,28,30)(H,31,32) AIZWDKPECDMNDR-UHFFFAOYSA-N 75502 6-[(E)-({3-[(4-fluorobenzoyl)amino]benzoyl}hydrazono)methyl]-2,3-dimethoxybenzoic acid::6-[[[3-[(4-fluorophenyl)carbonylamino]phenyl]carbonylhydrazinylidene]methyl]-2,3-dimethoxy-benzoic acid::6-[[[3-[(4-fluorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid::6-[[[[3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid::cid_16194515::SMR000312597::MLS000685633::6-[[[3-[(4-fluorobenzoyl)amino]benzoyl]hydrazono]methyl]-2,3-dimethoxy-benzoic acid Aryl hydrocarbon receptor Homo sapiens 5478 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75502 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75502&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 16194515 252652709 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135919 CCOCC(=O)Nc1cccc(-c2nc3cccnc3s2)c1C InChI=1S/C17H17N3O2S/c1-3-22-10-15(21)19-13-7-4-6-12(11(13)2)16-20-14-8-5-9-18-17(14)23-16/h4-9H,3,10H2,1-2H3,(H,19,21) UQDFLIMKRJFLOE-UHFFFAOYSA-N 75503 2-ethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanamide::SMR000320133::2-ethoxy-N-[2-methyl-3-(2-thiazolo[5,4-b]pyridinyl)phenyl]acetamide::2-ethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide::MLS000419308::cid_7087668::2-ethoxy-N-(2-methyl-3-thiazolo[5,4-b]pyridin-2-yl-phenyl)acetamide Aryl hydrocarbon receptor Homo sapiens 4224 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75503 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75503&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 7087668 252652710 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135920 CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23) JMSPCTGDYFVMJZ-UHFFFAOYSA-N 46793 cid_16195022::CHEMBL1617574::N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride::MLS000419194::N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]ethanamide;hydrochloride::SMR000319807::N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride Aryl hydrocarbon receptor Homo sapiens >1132 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=46793 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=46793&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3581333 252627339 CHEMBL1617574 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135921 Cc1cc(C)n2cc(c(C(O)=O)c2n1)-c1ccc(Cl)cc1 InChI=1S/C16H13ClN2O2/c1-9-7-10(2)19-8-13(11-3-5-12(17)6-4-11)14(16(20)21)15(19)18-9/h3-8H,1-2H3,(H,20,21) JBQMLOWLXLEWKA-UHFFFAOYSA-N 75504 7-(4-chlorophenyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid::SMR000337796::cid_1473716::MLS000755402::7-(4-chlorophenyl)-2,4-dimethyl-8-pyrrolo[1,2-a]pyrimidinecarboxylic acid::7-(4-chlorophenyl)-2,4-dimethyl-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid Aryl hydrocarbon receptor Homo sapiens 994 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75504 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75504&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1473716 252652711 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135922 OC(=O)COn1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccccc1 InChI=1S/C15H11N3O5/c19-14(20)9-23-17-13-8-11(18(21)22)6-7-12(13)16-15(17)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20) OUDJMDZZHKVBNB-UHFFFAOYSA-N 51199 2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetic acid::2-[(6-nitro-2-phenyl-1H-1,3-benzimidazol-1-yl)oxy]acetic acid::2-[(6-nitro-2-phenyl-1-benzimidazolyl)oxy]acetic acid::MLS000755385::2-(6-nitro-2-phenyl-benzimidazol-1-yl)oxyethanoic acid::cid_2766807::SMR000337780::2-(6-nitro-2-phenyl-benzimidazol-1-yl)oxyacetic acid Aryl hydrocarbon receptor Homo sapiens 4820 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51199 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51199&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2766807 252631431 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135923 Cc1c(cc(NC(=O)c2ccc(Cl)cc2)c(=O)n1N)-c1cc[nH]n1 InChI=1S/C16H14ClN5O2/c1-9-12(13-6-7-19-21-13)8-14(16(24)22(9)18)20-15(23)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3,(H,19,21)(H,20,23) JYBOIYVOUXORRF-UHFFFAOYSA-N 75505 MLS000696055::SMR000334966::N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide::N-[1-azanyl-6-methyl-2-oxidanylidene-5-(1H-pyrazol-5-yl)pyridin-3-yl]-4-chloranyl-benzamide::cid_1475595::N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)pyridin-3-yl]-4-chlorobenzamide::N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-1,2-dihydro-3-pyridinyl]-4-chlorobenzenecarboxamide::N-[1-amino-2-keto-6-methyl-5-(1H-pyrazol-5-yl)-3-pyridyl]-4-chloro-benzamide Aryl hydrocarbon receptor Homo sapiens 1173 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75505 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75505&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1475595 252652712 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135924 Cc1csc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)n1 InChI=1S/C16H13N7OS2/c1-10-8-26-16(18-10)19-13(24)9-25-14-3-2-12-20-21-15(23(12)22-14)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,24) TYSJDLJCTIMZDZ-UHFFFAOYSA-N 75506 N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide::SMR000320333::MLS000419518::cid_7190888::N-(4-methyl-2-thiazolyl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]acetamide::N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanamide::N-(4-methylthiazol-2-yl)-2-[[3-(4-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide Aryl hydrocarbon receptor Homo sapiens 12034 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75506 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75506&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 7190888 252652713 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135925 CC(=NNC(=O)c1cccnc1)c1ccc(cc1)-n1ccnc1 |w:2.2| InChI=1S/C17H15N5O/c1-13(20-21-17(23)15-3-2-8-18-11-15)14-4-6-16(7-5-14)22-10-9-19-12-22/h2-12H,1H3,(H,21,23) JKAXBDWBQYBEOZ-UHFFFAOYSA-N 75507 N-[1-[4-(1-imidazolyl)phenyl]ethylideneamino]-3-pyridinecarboxamide::MLS001011252::cid_4134627::N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]pyridine-3-carboxamide::SMR000353210::N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]nicotinamide Aryl hydrocarbon receptor Homo sapiens 5460 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75507 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75507&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 9648844 252652714 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135926 CC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1 InChI=1S/C18H13ClN2O2/c1-11(22)12-6-8-13(9-7-12)20-18(23)15-10-17(19)21-16-5-3-2-4-14(15)16/h2-10H,1H3,(H,20,23) IDSGYYPVCFUWSX-UHFFFAOYSA-N 75508 N-(4-acetylphenyl)-2-chloro-4-quinolinecarboxamide::cid_5148266::N-(4-acetylphenyl)-2-chloroquinoline-4-carboxamide::SMR000353463::MLS001013462::2-chloranyl-N-(4-ethanoylphenyl)quinoline-4-carboxamide::N-(4-acetylphenyl)-2-chloro-cinchoninamide Aryl hydrocarbon receptor Homo sapiens 1661 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75508 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75508&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5148266 252652715 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135927 CCOc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:8.8| InChI=1S/C18H17N3OS/c1-2-22-16-10-8-14(9-11-16)12-19-21-13-17(20-18(21)23)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,23) GLQOGUNUNKSELM-UHFFFAOYSA-N 43187 MLS001006420::cid_2425096::3-[(4-ethoxyphenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione::SMR000349384::1-[(4-ethoxybenzylidene)amino]-4-phenyl-4-imidazoline-2-thione Aryl hydrocarbon receptor Homo sapiens 4760 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43187 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43187&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 16241391 252623871 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135928 Cc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)s1 |w:6.6| InChI=1S/C15H13N3S2/c1-11-7-8-13(20-11)9-16-18-10-14(17-15(18)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19) HMLVXDCXWMVCJC-UHFFFAOYSA-N 75509 MLS000771728::3-[(5-methylthiophen-2-yl)methylideneamino]-5-phenyl-1H-imidazole-2-thione::3-[(5-methyl-2-thiophenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione::cid_2109460::SMR000376471::1-[(5-methyl-2-thienyl)methyleneamino]-4-phenyl-4-imidazoline-2-thione Aryl hydrocarbon receptor Homo sapiens 1443 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75509 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75509&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 16244870 252652716 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135929 Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:6| InChI=1S/C16H10ClNO3/c17-13-14(18-9-5-7-10(19)8-6-9)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,18-19H BAPUUJSXNSGXLT-UHFFFAOYSA-N 71150 MLS000778523::2-chloro-3-(4-hydroxyanilino)naphthalene-1,4-dione::2-Chloro-3-(4-hydroxy-phenylamino)-[1,4]naphthoquinone::SMR000415317::cid_260556::2-chloranyl-3-[(4-hydroxyphenyl)amino]naphthalene-1,4-dione::2-chloro-3-(4-hydroxyanilino)-1,4-naphthoquinone Aryl hydrocarbon receptor Homo sapiens >1130 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=71150 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=71150&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 260556 252648737 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135930 CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1 InChI=1S/C17H15N3O2/c1-10(21)18-14-5-3-12-7-13-4-6-15(19-11(2)22)9-17(13)20-16(12)8-14/h3-9H,1-2H3,(H,18,21)(H,19,22) IPBVFYCAVIISQF-UHFFFAOYSA-N 29698 MLS000736567::N-(6-acetamido-3-acridinyl)acetamide::3, 6-Diacetamidoacridine::SMR000528066::N-(6-acetamidoacridin-3-yl)ethanamide::cid_85070::N-(6-acetamidoacridin-3-yl)acetamide Aryl hydrocarbon receptor Homo sapiens >3391 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29698 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29698&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 85070 252614906 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135931 Nc1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23 InChI=1S/C18H19N3O2/c19-13-10-12-4-3-5-14-16(12)15(11-13)18(23)21(17(14)22)9-8-20-6-1-2-7-20/h3-5,10-11H,1-2,6-9,19H2 TXYIFVDECCPRPY-UHFFFAOYSA-N 51259 cid_328774::MLS000757037::SMR000528909::5-azanyl-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione::5-amino-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione::5-amino-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione::1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(1-pyrrolidinyl)ethyl]-::5-amino-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone Aryl hydrocarbon receptor Homo sapiens 286.1 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51259 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51259&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 328774 252631488 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135932 Cn1c(N)c(sc1=S)C(=O)Nc1ccccc1F InChI=1S/C11H10FN3OS2/c1-15-9(13)8(18-11(15)17)10(16)14-7-5-3-2-4-6(7)12/h2-5H,13H2,1H3,(H,14,16) ZAKPCTBIXWLOBB-UHFFFAOYSA-N 75510 4-azanyl-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide::SMR000439553::MLS000763100::4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide::4-Amino-3-methyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid (2-fluoro-phenyl)-amide::4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-5-thiazolecarboxamide::cid_3769533::4-amino-N-(2-fluorophenyl)-3-methyl-2-thioxo-4-thiazoline-5-carboxamide Aryl hydrocarbon receptor Homo sapiens 856.5 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75510 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75510&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3769533 252652717 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135933 COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O InChI=1S/C13H16N6O4/c1-23-9-5-3-2-4-8(9)16-12-10(19(21)22)11(14)17-13(18-12)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18) FWHDLLWTESTDBL-UHFFFAOYSA-N 69532 cid_3294594::SMR000436039::2-[4-Amino-6-(2-methoxy-phenylamino)-5-nitro-pyrimidin-2-ylamino]-ethanol::2-[[4-amino-6-(2-methoxyanilino)-5-nitro-2-pyrimidinyl]amino]ethanol::2-[[4-azanyl-6-[(2-methoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanol::2-[[4-amino-6-(2-methoxyanilino)-5-nitropyrimidin-2-yl]amino]ethanol::MLS000332747::2-[[4-amino-5-nitro-6-(o-anisidino)pyrimidin-2-yl]amino]ethanol Aryl hydrocarbon receptor Homo sapiens 1200 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=69532 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=69532&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3294594 252647698 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135934 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3 WBWFIUAVMCNYPG-UHFFFAOYSA-N 50037429 cid_5353365::CSC::8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione::CHEMBL26138::8-(3-chlorostyryl)caffeine Aryl hydrocarbon receptor Homo sapiens 3343 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037429 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037429&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5353365 103944976 CHEMBL26138 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135935 Cc1nc(Cl)sc1C(=O)Nc1ccc(cc1)C(F)(F)F InChI=1S/C12H8ClF3N2OS/c1-6-9(20-11(13)17-6)10(19)18-8-4-2-7(3-5-8)12(14,15)16/h2-5H,1H3,(H,18,19) MTVDHPMZNYZXSB-UHFFFAOYSA-N 75511 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxamide::2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide::cid_850250::SMR000477647::MLS001180496::2-chloranyl-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide::2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]thiazole-5-carboxamide Aryl hydrocarbon receptor Homo sapiens 1575 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75511 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75511&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 850250 252652718 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135936 Cc1ccc[n+](CC(=O)c2ccc(Br)cc2)c1C InChI=1S/C15H15BrNO/c1-11-4-3-9-17(12(11)2)10-15(18)13-5-7-14(16)8-6-13/h3-9H,10H2,1-2H3/q+1 AYRUVEWBEHBRPO-UHFFFAOYSA-N 75512 SMR000496151::MLS001001681::1-(4-bromophenyl)-2-(2,3-dimethyl-1-pyridin-1-iumyl)ethanone;bromide::1-[2-(4-bromophenyl)-2-oxoethyl]-2,3-dimethylpyridinium bromide::cid_2841483::1-(4-bromophenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone;bromide Aryl hydrocarbon receptor Homo sapiens 6771 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75512 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75512&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2207821 252652719 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135937 COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1 InChI=1S/C19H17NO2/c1-13-7-9-16(10-8-13)20-19(21)17-11-14-5-3-4-6-15(14)12-18(17)22-2/h3-12H,1-2H3,(H,20,21) UEAMJCFZTDEOAL-UHFFFAOYSA-N 75513 3-methoxy-N-(4-methylphenyl)-2-naphthamide::cid_790572::SMR000495912::3-methoxy-N-(4-methylphenyl)naphthalene-2-carboxamide::MLS001008441::3-methoxy-N-(4-methylphenyl)-2-naphthalenecarboxamide::3-methoxy-N-(p-tolyl)-2-naphthamide Aryl hydrocarbon receptor Homo sapiens 393.66 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75513 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75513&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 790572 252652720 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135938 COc1ccccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccccc1OC InChI=1S/C21H19N3O4/c1-27-18-9-5-3-7-15(18)23-20(25)14-11-12-17(22-13-14)21(26)24-16-8-4-6-10-19(16)28-2/h3-13H,1-2H3,(H,23,25)(H,24,26) WNICLXBTHUYDLG-UHFFFAOYSA-N 75514 2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide::MLS001164421::N2,N5-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide::N,N'-bis(2-methoxyphenyl)-2,5-pyridinedicarboxamide::cid_1369664::SMR000496637::N,N'-bis(2-methoxyphenyl)isocinchomeronamide Aryl hydrocarbon receptor Homo sapiens 68.63 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75514 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75514&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1369664 252652721 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135939 COCC(=O)N1CCc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2C1 InChI=1S/C20H19F3N2O3/c1-28-12-18(26)25-9-8-13-4-7-17(10-15(13)11-25)24-19(27)14-2-5-16(6-3-14)20(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,24,27) SFZMDWWWNYNTCA-UHFFFAOYSA-N 75515 SMR000499493::N-[2-(methoxyacetyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-4-(trifluoromethyl)benzamide::cid_23724026::N-[2-(2-methoxy-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide::MLS000971239::N-[2-(2-methoxyethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide::N-[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Aryl hydrocarbon receptor Homo sapiens >1131 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75515 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75515&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 23724026 252652722 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135940 Cn1c(cc2cc(Cl)ccc12)C(=O)N1CCC(CC1)C(N)=O InChI=1S/C16H18ClN3O2/c1-19-13-3-2-12(17)8-11(13)9-14(19)16(22)20-6-4-10(5-7-20)15(18)21/h2-3,8-10H,4-7H2,1H3,(H2,18,21) FFCSJSLKDCBFQM-UHFFFAOYSA-N 75516 1-(5-chloranyl-1-methyl-indol-2-yl)carbonylpiperidine-4-carboxamide::MLS001183480::1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide::SMR000502071::cid_4619062::1-[(5-chloro-1-methyl-2-indolyl)-oxomethyl]-4-piperidinecarboxamide::1-(5-chloro-1-methyl-indole-2-carbonyl)isonipecotamide Aryl hydrocarbon receptor Homo sapiens 910 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75516 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75516&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 4619062 252652723 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135941 CCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1 InChI=1S/C12H13Cl2N5/c1-2-7-15-11-17-10(14)18-12(19-11)16-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19) BSPRCSZWHCSQRT-UHFFFAOYSA-N 75517 6-chloro-N2-(4-chlorophenyl)-N4-propyl-1,3,5-triazine-2,4-diamine::6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine::SMR000514165::MLS001207726::cid_3107863::6-Chloro-N-(4-chloro-phenyl)-N'-propyl-[1,3,5]triazine-2,4-diamine::6-chloranyl-N2-(4-chlorophenyl)-N4-propyl-1,3,5-triazine-2,4-diamine::[4-chloro-6-(4-chloroanilino)-s-triazin-2-yl]-propyl-amine Aryl hydrocarbon receptor Homo sapiens 3380 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75517 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75517&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3107863 252652724 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135942 CCc1ccc2[nH]c3nc(N=NCc4ccc(O)cc4O)nnc3c2c1 |w:10.9| InChI=1S/C18H16N6O2/c1-2-10-3-6-14-13(7-10)16-17(20-14)21-18(24-22-16)23-19-9-11-4-5-12(25)8-15(11)26/h3-8,25-26H,2,9H2,1H3,(H,20,21,24) LXKQHHBFQSNZES-UHFFFAOYSA-N 75518 (4E)-4-[[(8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazo]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone::(4E)-4-[[2-(8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinyl]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one::cid_5725981::(4E)-4-[[2-(8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinyl]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one::MLS001163477::SMR000496754::2,4-dihydroxybenzaldehyde (8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone::(4E)-4-[[N'-(8-ethyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)hydrazino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Aryl hydrocarbon receptor Homo sapiens >91680 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75518 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75518&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898141 252652725 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135943 Nc1cccc(Nc2ncnc3ccccc23)c1 InChI=1S/C14H12N4/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,15H2,(H,16,17,18) VABQVFUQOPCNBG-UHFFFAOYSA-N 75519 SMR000516608::N3-quinazolin-4-ylbenzene-1,3-diamine;hydrochloride::N3-(4-quinazolinyl)benzene-1,3-diamine;hydrochloride::N-Quinazolin-4-yl-benzene-1,3-diamine::MLS001207907::3-N-quinazolin-4-ylbenzene-1,3-diamine;hydrochloride::cid_23724327::(3-aminophenyl)-quinazolin-4-yl-amine;hydrochloride Aryl hydrocarbon receptor Homo sapiens 3582 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75519 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75519&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 693144 252652726 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135944 COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10| InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3 NDBCVNCPYASAJY-UHFFFAOYSA-N 51902 N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methyl-4-quinolinamine::SMR000517671::N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methyl-quinolin-4-amine::cid_3141521::N-(4-Fluoro-benzylidene)-N'-(6-methoxy-2-methyl-quinolin-4-yl)-hydrazine::MLS001203758::[(E)-(4-fluorobenzylidene)amino]-(6-methoxy-2-methyl-4-quinolyl)amine::N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine::[(4-fluorobenzylidene)amino]-(6-methoxy-2-methyl-4-quinolyl)amine Aryl hydrocarbon receptor Homo sapiens >377.42 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51902 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51902&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 91896999 252632060 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135945 Cc1ccc2n(C)c3nc4ccccc4nc3c2c1 InChI=1S/C16H13N3/c1-10-7-8-14-11(9-10)15-16(19(14)2)18-13-6-4-3-5-12(13)17-15/h3-9H,1-2H3 CMCFXZHCNYNTKD-UHFFFAOYSA-N 75520 6,9-Dimethyl-6H-indolo[2,3-b]quinoxaline::MLS001206535::cid_2938340::SMR000523493::6,9-dimethylindolo[3,2-b]quinoxaline Aryl hydrocarbon receptor Homo sapiens 1004 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75520 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75520&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2938340 252652727 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135946 [O-][N+](=O)c1cnc(Nc2ccc(Cl)cn2)c(c1)[N+]([O-])=O InChI=1S/C10H6ClN5O4/c11-6-1-2-9(12-4-6)14-10-8(16(19)20)3-7(5-13-10)15(17)18/h1-5H,(H,12,13,14) LFQZRGHJOLHCGV-UHFFFAOYSA-N 75521 cid_3097917::MLS001202736::SMR000513318::N-(5-chloro-2-pyridinyl)-3,5-dinitro-2-pyridinamine::N-(5-chloranylpyridin-2-yl)-3,5-dinitro-pyridin-2-amine::(5-Chloro-pyridin-2-yl)-(3,5-dinitro-pyridin-2-yl)-amine::N-(5-chloropyridin-2-yl)-3,5-dinitropyridin-2-amine::(5-chloro-2-pyridyl)-(3,5-dinitro-2-pyridyl)amine Aryl hydrocarbon receptor Homo sapiens 1288 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75521 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75521&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 3097917 252652728 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135947 Cc1nnc(s1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O InChI=1S/C15H8N4O4S/c1-7-16-17-15(24-7)18-13(20)9-4-2-3-8-11(19(22)23)6-5-10(12(8)9)14(18)21/h2-6H,1H3 PSRMOLGWPSXUTN-UHFFFAOYSA-N 75522 MLS001207628::2-(5-Methyl-[1,3,4]thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione::2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione::SMR000505020::2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione::cid_548037::2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-quinone Aryl hydrocarbon receptor Homo sapiens 733.46 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75522 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75522&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 548037 252652729 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135948 CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 InChI=1S/C20H19NO3/c1-3-24-17-10-8-16(9-11-17)21-20(22)18-12-14-6-4-5-7-15(14)13-19(18)23-2/h4-13H,3H2,1-2H3,(H,21,22) RHGZQBLFVXMWLY-UHFFFAOYSA-N 75523 cid_790575::3-Methoxy-naphthalene-2-carboxylic acid (4-ethoxy-phenyl)-amide::N-(4-ethoxyphenyl)-3-methoxynaphthalene-2-carboxamide::SMR000513536::MLS001207312::N-(4-ethoxyphenyl)-3-methoxy-naphthalene-2-carboxamide::N-(4-ethoxyphenyl)-3-methoxy-2-naphthalenecarboxamide::3-methoxy-N-p-phenetyl-2-naphthamide Aryl hydrocarbon receptor Homo sapiens 2168 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75523 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75523&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 790575 252652730 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135949 COc1ccc(CN=Nc2cc(C)nc3ccccc23)cc1 |w:8.8| InChI=1S/C18H17N3O/c1-13-11-18(16-5-3-4-6-17(16)20-13)21-19-12-14-7-9-15(22-2)10-8-14/h3-11H,12H2,1-2H3 BBKFOHVZXRMFKQ-UHFFFAOYSA-N 75524 N-[(4-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine::N-[(4-methoxyphenyl)methylideneamino]-2-methyl-4-quinolinamine::N-(4-Methoxy-benzylidene)-N'-(2-methyl-quinolin-4-yl)-hydrazine::N-[(4-methoxyphenyl)methylideneamino]-2-methyl-quinolin-4-amine::MLS001210939::SMR000517659::cid_3141472::(2-methyl-4-quinolyl)-(p-anisylideneamino)amine Aryl hydrocarbon receptor Homo sapiens >1132 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75524 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75524&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898142 252652731 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135950 CN(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23 InChI=1S/C17H18N2O2/c1-18(2)10-5-11-19-16(20)13-8-3-6-12-7-4-9-14(15(12)13)17(19)21/h3-4,6-9H,5,10-11H2,1-2H3 JFMVGTHZMQOEEU-UHFFFAOYSA-N 75525 MLS001211932::cid_2834616::SMR000513699::2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione::2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione::2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-quinone Aryl hydrocarbon receptor Homo sapiens 814.96 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75525 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75525&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 2834616 252652732 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135951 COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 InChI=1S/C18H14BrNO2/c1-22-13-10-8-12(9-11-13)20-18(21)16-6-2-5-15-14(16)4-3-7-17(15)19/h2-11H,1H3,(H,20,21) CHPLHBZZKHCNKN-UHFFFAOYSA-N 75526 SMR000515344::5-bromo-N-(4-methoxyphenyl)-1-naphthalenecarboxamide::cid_1106143::5-bromo-N-(4-methoxyphenyl)naphthalene-1-carboxamide::5-Bromo-naphthalene-1-carboxylic acid (4-methoxy-phenyl)-amide::5-bromanyl-N-(4-methoxyphenyl)naphthalene-1-carboxamide::MLS001212439::5-bromo-N-(4-methoxyphenyl)-1-naphthamide Aryl hydrocarbon receptor Homo sapiens 965 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75526 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75526&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1106143 252652733 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135952 COc1ccc(cc1)-c1oc2ccc(cc2c1C#Cc1ccc(N)cc1)N1CCOCC1 InChI=1S/C27H24N2O3/c1-30-23-10-5-20(6-11-23)27-24(12-4-19-2-7-21(28)8-3-19)25-18-22(9-13-26(25)32-27)29-14-16-31-17-15-29/h2-3,5-11,13,18H,14-17,28H2,1H3 WKYLXDFSHZFFAL-UHFFFAOYSA-N 75527 SMR000526346::4-[2-[2-(4-methoxyphenyl)-5-(4-morpholinyl)-3-benzofuranyl]ethynyl]aniline::cid_24747801::MLS001144021::4-[2-[2-(4-methoxyphenyl)-5-morpholin-4-yl-1-benzofuran-3-yl]ethynyl]aniline::[4-[2-[2-(4-methoxyphenyl)-5-morpholino-benzofuran-3-yl]ethynyl]phenyl]amine Aryl hydrocarbon receptor Homo sapiens 5719 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75527 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75527&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 24747801 252652734 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135953 Clc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1 InChI=1S/C11H8ClN3O2/c12-7-2-1-3-8(6-7)13-11(17)9-4-5-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16) QPWCNDVZJNWKKW-UHFFFAOYSA-N 75528 N-(3-chlorophenyl)-6-oxidanylidene-1H-pyridazine-3-carboxamide::cid_947023::MLS001163863::SMR000539232::N-(3-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide::N-(3-chlorophenyl)-6-keto-1H-pyridazine-3-carboxamide Aryl hydrocarbon receptor Homo sapiens 3405 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75528 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75528&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 947023 252652735 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135954 Clc1cccc(NC(=O)c2cccnn2)c1 InChI=1S/C11H8ClN3O/c12-8-3-1-4-9(7-8)14-11(16)10-5-2-6-13-15-10/h1-7H,(H,14,16) OVZJOGDDIIQZEC-UHFFFAOYSA-N 75529 N-(3-chlorophenyl)-3-pyridazinecarboxamide::MLS001198267::cid_5297393::SMR000559387::N-(3-chlorophenyl)pyridazine-3-carboxamide Aryl hydrocarbon receptor Homo sapiens 583.2 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75529 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75529&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5297393 252652736 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135955 CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 InChI=1S/C13H12ClN3OS/c1-8-11(7-15-13(16-8)19-2)12(18)17-10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,17,18) QQGFMJRWPGIRDB-UHFFFAOYSA-N 75530 MLS001200027::SMR000563752::N-(4-chlorophenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide::cid_20899656::N-(4-chlorophenyl)-4-methyl-2-(methylthio)-5-pyrimidinecarboxamide::N-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide::N-(4-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide Aryl hydrocarbon receptor Homo sapiens 22.2 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75530 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75530&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 20899656 252652737 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135956 Cc1ccc(C)c2sc(NC(=O)C3CC3)nc12 InChI=1S/C13H14N2OS/c1-7-3-4-8(2)11-10(7)14-13(17-11)15-12(16)9-5-6-9/h3-4,9H,5-6H2,1-2H3,(H,14,15,16) NNFDXQXYZRDCQX-UHFFFAOYSA-N 75531 MLS001167634::SMR000641204::cid_7192959::N-(4,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide Aryl hydrocarbon receptor Homo sapiens 4217 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75531 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75531&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 7192959 252652738 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135957 COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O |w:6.6| InChI=1S/C22H19N3O4/c1-29-20-12-15(10-11-19(20)26)14-23-25-22(28)17-8-5-9-18(13-17)24-21(27)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,27)(H,25,28) LOIJGQHADXQMMX-UHFFFAOYSA-N 75532 SMR000619812::N-[3-[[[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]benzamide::cid_24789707::N-[3-[[[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-oxomethyl]phenyl]benzamide::N-[3-[[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]benzamide::MLS000950076::N-[3-[[[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]benzamide Aryl hydrocarbon receptor Homo sapiens 5615 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75532 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75532&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 24789707 252652739 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135958 COc1cc(C=NNC(=O)c2cccnc2)cc2OCOc12 InChI=1S/C15H13N3O4/c1-20-12-5-10(6-13-14(12)22-9-21-13)7-17-18-15(19)11-3-2-4-16-8-11/h2-8H,9H2,1H3,(H,18,19) RVLDMOUPZDHPJS-UHFFFAOYSA-N 75533 N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-pyridinecarboxamide::MLS001125581::cid_768082::SMR000658951::N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide::N-[(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]nicotinamide Aryl hydrocarbon receptor Homo sapiens 6163 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75533 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75533&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 768082 252652740 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135959 Fc1ccc(NC(=S)NC(=O)C2CC2)cc1Cl InChI=1S/C11H10ClFN2OS/c12-8-5-7(3-4-9(8)13)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17) NNHBHBHICWBVRN-UHFFFAOYSA-N 75534 SMR000669577::N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]cyclopropanecarboxamide::MLS001060579::N-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide::cid_1257250::N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]cyclopropanecarboxamide::N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]cyclopropanecarboxamide Aryl hydrocarbon receptor Homo sapiens 860.52 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75534 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75534&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 1257250 252652741 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135960 Cc1cnc(NC(=O)c2c(Cl)cnn2C)s1 InChI=1S/C9H9ClN4OS/c1-5-3-11-9(16-5)13-8(15)7-6(10)4-12-14(7)2/h3-4H,1-2H3,(H,11,13,15) DDGPIMRGPVTWMK-UHFFFAOYSA-N 75535 4-chloranyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide::SMR000671440::4-chloro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide::MLS001071977::4-chloro-2-methyl-N-(5-methyl-2-thiazolyl)-3-pyrazolecarboxamide::cid_6471003::4-chloro-2-methyl-N-(5-methylthiazol-2-yl)pyrazole-3-carboxamide Aryl hydrocarbon receptor Homo sapiens 5872 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75535 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75535&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 6471003 252652742 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135961 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)o1 InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18) JNPRTUHVCHGFHJ-UHFFFAOYSA-N 17152 cid_5828196::4-(5-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide::thiazolidine-2,4-dione, 14 Aryl hydrocarbon receptor Homo sapiens 237.15 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17152 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17152&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 5828196 46517380 DB07531 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804 135962 Fc1ccc(c(F)c1)S(=O)(=O)NNc1ncc(cc1Cl)C(F)(F)F InChI=1S/C12H7ClF5N3O2S/c13-8-3-6(12(16,17)18)5-19-11(8)20-21-24(22,23)10-2-1-7(14)4-9(10)15/h1-5,21H,(H,19,20) QMYHGWDJTXAPOF-UHFFFAOYSA-N 75536 cid_4851243::N'-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2,4-bis(fluoranyl)benzenesulfonohydrazide::N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide::SMR001316556::MLS002249107::N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazide::N'-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2,4-difluoro-benzenesulfonohydrazide Aryl hydrocarbon receptor Homo sapiens 3379 PubChem 10.7270/Q2K93612 aid463088 PubChem, PC 8/6/2010 7/31/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75536 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000871&target=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75536&enzyme=Aryl+hydrocarbon+receptor&column=ki&startPg=0&Increment=50&submit=Search 4851243 252652743 1 MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL 7ZUB,8QMO,5NJ8 Aryl hydrocarbon receptor AHR_HUMAN P35869 A4D130 Q13728 Q13803 Q13804