BDBM50240982 (E)-(7S,11S)-2,4,11-Trihydroxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxa-benzocyclotetradecen-5-one::BETA-ZEARALENOL::CHEMBL372840::cid_107645

SMILES: C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1

InChI Key: InChIKey=FPQFYIAXQDXNOR-PMRAARRBSA-N

Data: 2 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50240982   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50240982 ((E)-(7S,11S)-2,4,11-Trihydroxy-7-methyl-7,8,9,10,1...) Show SMILES C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.22E+3	n/a	n/a	n/a	n/a
Emory University Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F47MJ9
					More data for this Ligand-Target Pair
Transcription Factor STAT1 (Homo sapiens (Human))	BDBM50240982 ((E)-(7S,11S)-2,4,11-Trihydroxy-7-methyl-7,8,9,10,1...) Show SMILES C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K935ZR
					More data for this Ligand-Target Pair
STAT3 (Homo sapiens (Human))	BDBM50240982 ((E)-(7S,11S)-2,4,11-Trihydroxy-7-methyl-7,8,9,10,1...) Show SMILES C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1	GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
					More data for this Ligand-Target Pair