Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50220638'   

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))	BDBM50220638 (6-(octahydroisoquinolin-2(1H)-yl)-4-(trifluorometh...) Show SMILES FC(F)(F)c1cc(ncc1C#N)N1CCC2CCCCC2C1 |w:15.15,20.22| Show InChI InChI=1S/C16H18F3N3/c17-16(18,19)14-7-15(21-9-13(14)8-20)22-6-5-11-3-1-2-4-12(11)10-22/h7,9,11-12H,1-6,10H2	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	169	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]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220638 (6-(octahydroisoquinolin-2(1H)-yl)-4-(trifluorometh...) Show SMILES FC(F)(F)c1cc(ncc1C#N)N1CCC2CCCCC2C1 |w:15.15,20.22| Show InChI InChI=1S/C16H18F3N3/c17-16(18,19)14-7-15(21-9-13(14)8-20)22-6-5-11-3-1-2-4-12(11)10-22/h7,9,11-12H,1-6,10H2	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	260	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 MDA-MB-453 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair