Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase' and Ligand = 'BDBM50340466'   

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
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase (Mycobacterium tuberculosis)	BDBM50340466 ((8S,9R,10S,13R,14R,17R)-17-(3-(4-cyclohexylphenyl)...) Show SMILES C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(cc1)N1CCOCC1 |r,t:7| Show InChI InChI=1S/C29H39N3O3/c1-28-12-10-24-22(18-30-26-17-21(33)9-11-29(24,26)2)23(28)7-8-25(28)27(34)31-19-3-5-20(6-4-19)32-13-15-35-16-14-32/h3-6,22-25H,7-18H2,1-2H3,(H,31,34)/t22-,23-,24-,25+,28-,29+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase				Bioorg Med Chem Lett 21: 2216-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.004 BindingDB Entry DOI: 10.7270/Q2Z31ZXD
					More data for this Ligand-Target Pair