BDBM50154051 5-Hydroxy-2-(6-hydroxy-benzo[d]isoxazol-3-yl)-benzonitrile::5-hydroxy-2-(6-hydroxybenzo[d]isoxazol-3-yl)benzonitrile::CHEMBL185890

SMILES: Oc1ccc(-c2noc3cc(O)ccc23)c(c1)C#N

InChI Key: InChIKey=UYWKBSCMVNKPTK-UHFFFAOYSA-N

Data: 3 IC50

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 = 50154051   

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))	BDBM50154051 (5-Hydroxy-2-(6-hydroxy-benzo[d]isoxazol-3-yl)-benz...) Show SMILES Oc1ccc(-c2noc3cc(O)ccc23)c(c1)C#N Show InChI InChI=1S/C14H8N2O3/c15-7-8-5-9(17)1-3-11(8)14-12-4-2-10(18)6-13(12)19-16-14/h1-6,17-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50154051 (5-Hydroxy-2-(6-hydroxy-benzo[d]isoxazol-3-yl)-benz...) Show SMILES Oc1ccc(-c2noc3cc(O)ccc23)c(c1)C#N Show InChI InChI=1S/C14H8N2O3/c15-7-8-5-9(17)1-3-11(8)14-12-4-2-10(18)6-13(12)19-16-14/h1-6,17-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Yantai University Curated by ChEMBL					Assay Description Binding affinity to ERbeta (unknown origin)				Eur J Med Chem 43: 43-52 (2008) Article DOI: 10.1016/j.ejmech.2007.03.002 BindingDB Entry DOI: 10.7270/Q2WD40BT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50154051 (5-Hydroxy-2-(6-hydroxy-benzo[d]isoxazol-3-yl)-benz...) Show SMILES Oc1ccc(-c2noc3cc(O)ccc23)c(c1)C#N Show InChI InChI=1S/C14H8N2O3/c15-7-8-5-9(17)1-3-11(8)14-12-4-2-10(18)6-13(12)19-16-14/h1-6,17-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair