BDBM50152615 CHEMBL184151::[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE::[5-Hydroxy-2-(4-hydroxy-phenyl)-benzofuran-7-yl]-acetonitrile

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

InChI Key: InChIKey=ZKJVCUXZMYKTLT-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50152615   

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 beta (Homo sapiens (Human))	BDBM50152615 (CHEMBL184151 | [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BE...) Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(CC#N)c2o1 Show InChI InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	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)
Estrogen receptor (Homo sapiens (Human))	BDBM50152615 (CHEMBL184151 | [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BE...) Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(CC#N)c2o1 Show InChI InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.15E+3	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				3D Structure (crystal)