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 = 'BDBM50340468'   

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)	BDBM50340468 ((1S,3aS,3bS,9aR,9bS,11aS)-N-(2-benzoylphenyl)-9a,1...) Show SMILES C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1C(=O)c1ccccc1 |r,t:7| Show InChI InChI=1S/C32H36N2O3/c1-31-17-15-25-23(19-33-28-18-21(35)14-16-32(25,28)2)24(31)12-13-26(31)30(37)34-27-11-7-6-10-22(27)29(36)20-8-4-3-5-9-20/h3-11,23-26H,12-19H2,1-2H3,(H,34,37)/t23-,24-,25-,26+,31-,32+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	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