BDBM25437 (trifluoromethyl)benzonitrile, 14::4-{[(1R,2S)-2-cyanocyclohexyl]oxy}-2-(trifluoromethyl)benzonitrile::CHEMBL399887

SMILES: FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N

InChI Key: InChIKey=ARJGHPDXAXFKDW-SMDDNHRTSA-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 = 25437   

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))	BDBM25437 ((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...) Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.4	4
Pfizer					Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...				J Med Chem 51: 7010-4 (2008) Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM25437 ((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...) Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	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 androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen...				Bioorg Med Chem Lett 17: 5983-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM25437 ((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...) Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	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 androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5983-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT
					More data for this Ligand-Target Pair