BDBM50278453 4-(5-(hydroxymethyl)-2-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile::CHEMBL451153

SMILES: COc1ccc(CO)cc1Oc1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=IUDWLWLSWMQDHX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50278453   

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
Androgen receptor (Homo sapiens (Human))	BDBM50278453 (4-(5-(hydroxymethyl)-2-methoxyphenoxy)-2-(trifluor...) Show SMILES COc1ccc(CO)cc1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H12F3NO3/c1-22-14-5-2-10(9-21)6-15(14)23-12-4-3-11(8-20)13(7-12)16(17,18)19/h2-7,21H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response				Bioorg Med Chem Lett 19: 2176-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.104 BindingDB Entry DOI: 10.7270/Q27P8Z8W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50278453 (4-(5-(hydroxymethyl)-2-methoxyphenoxy)-2-(trifluor...) Show SMILES COc1ccc(CO)cc1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H12F3NO3/c1-22-14-5-2-10(9-21)6-15(14)23-12-4-3-11(8-20)13(7-12)16(17,18)19/h2-7,21H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system				Bioorg Med Chem Lett 19: 2176-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.104 BindingDB Entry DOI: 10.7270/Q27P8Z8W
					More data for this Ligand-Target Pair