Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50303823'   

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))	BDBM50303823 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C24H31FN2O/c1-16(2)13-24(4,28)21-7-5-6-18-12-20-22(17-8-10-19(25)11-9-17)26-15-27(20)14-23(18,21)3/h8-12,15-16,21,28H,5-7,13-14H2,1-4H3/t21-,23-,24+/m0/s1	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	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
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