BDBM50154064 2-(2-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazole-7-carbonitrile::2-(2-fluoro-4-hydroxyphenyl)-5-hydroxybenzo[d]oxazole-7-carbonitrile::CHEMBL189658

SMILES: Oc1ccc(-c2nc3cc(O)cc(C#N)c3o2)c(F)c1

InChI Key: InChIKey=DEFIOUDVRMACDV-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 = 50154064   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50154064 (2-(2-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazo...) Show SMILES Oc1ccc(-c2nc3cc(O)cc(C#N)c3o2)c(F)c1 Show InChI InChI=1S/C14H7FN2O3/c15-11-4-8(18)1-2-10(11)14-17-12-5-9(19)3-7(6-16)13(12)20-14/h1-5,18-19H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50154064 (2-(2-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazo...) Show SMILES Oc1ccc(-c2nc3cc(O)cc(C#N)c3o2)c(F)c1 Show InChI InChI=1S/C14H7FN2O3/c15-11-4-8(18)1-2-10(11)14-17-12-5-9(19)3-7(6-16)13(12)20-14/h1-5,18-19H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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))	BDBM50154064 (2-(2-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazo...) Show SMILES Oc1ccc(-c2nc3cc(O)cc(C#N)c3o2)c(F)c1 Show InChI InChI=1S/C14H7FN2O3/c15-11-4-8(18)1-2-10(11)14-17-12-5-9(19)3-7(6-16)13(12)20-14/h1-5,18-19H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	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