Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50252217'   

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))	BDBM50252217 ((3S,4S)-N-[4-[(Benzyl)(4-nitrophenyl)amino]-1-meth...) Show SMILES Cn1cc(cc1C(=O)N1C[C@H](O)[C@@H](O)C1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H24N4O5/c1-24-13-19(11-20(24)23(30)25-14-21(28)22(29)15-25)26(12-16-5-3-2-4-6-16)17-7-9-18(10-8-17)27(31)32/h2-11,13,21-22,28-29H,12,14-15H2,1H3/t21-,22-/m0/s1	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	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
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