Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50323027'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	BDBM50323027 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)NC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F3N4O4/c1-11(2)27-19(32)28-9-20(3)15-16(21(4,10-28)33-20)18(31)29(17(15)30)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,9-10H2,1-4H3,(H,27,32)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323027 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)NC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F3N4O4/c1-11(2)27-19(32)28-9-20(3)15-16(21(4,10-28)33-20)18(31)29(17(15)30)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,9-10H2,1-4H3,(H,27,32)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	876	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323027 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)NC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F3N4O4/c1-11(2)27-19(32)28-9-20(3)15-16(21(4,10-28)33-20)18(31)29(17(15)30)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,9-10H2,1-4H3,(H,27,32)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair