BDBM50105276 CHEMBL3597698

SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1

InChI Key InChIKey=JHRYBPMSBXHLJL-LSDHHAIUSA-N

Data  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50105276   

TargetEndothelial PAS domain-containing protein 1(Homo sapiens (Human))
University of Texas Southwestern Medical Center

Curated by ChEMBL
LigandPNGBDBM50105276(CHEMBL3597698)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1
Show InChI InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1
Affinity DataKd:  63nMAssay Description:Binding affinity to wild type His6-Gbeta1-fused HIF-2alpha PAS-B domain (240 to 350) (unknown origin) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
University of Texas Southwestern Medical Center

Curated by ChEMBL
LigandPNGBDBM50105276(CHEMBL3597698)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1
Show InChI InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1
Affinity DataIC50: 3.00E+4nMAssay Description:Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibi...More data for this Ligand-Target Pair
TargetEndothelial PAS domain-containing protein 1(Homo sapiens (Human))
University of Texas Southwestern Medical Center

Curated by ChEMBL
LigandPNGBDBM50105276(CHEMBL3597698)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1
Show InChI InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1
Affinity DataIC50: 112nMAssay Description:Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...More data for this Ligand-Target Pair