BDBM50152624 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE::5-Hydroxy-2-(4-hydroxy-phenyl)-benzofuran-7-carbonitrile::CHEMBL363498

SMILES: Oc1ccc(cc1)-c1cc2cc(O)cc(C#N)c2o1

InChI Key: InChIKey=GGEKOZPXKBYLNK-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50152624   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50152624 (5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBO...) Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(C#N)c2o1 Show InChI InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity for human Estrogen receptor alpha				Bioorg Med Chem Lett 14: 4925-9 (2004) Article DOI: 10.1016/j.bmcl.2004.07.029 BindingDB Entry DOI: 10.7270/Q2TM79K8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50152624 (5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBO...) Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(C#N)c2o1 Show InChI InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50152624 (5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBO...) Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(C#N)c2o1 Show InChI InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity for human Estrogen receptor beta				Bioorg Med Chem Lett 14: 4925-9 (2004) Article DOI: 10.1016/j.bmcl.2004.07.029 BindingDB Entry DOI: 10.7270/Q2TM79K8
					More data for this Ligand-Target Pair				3D Structure (crystal)