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 = 'BDBM50340477'   

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)	BDBM50340477 ((1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-5-hexyl-9a,1...) Show SMILES CCCCCCN1C[C@H]2[C@@H]3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:33| Show InChI InChI=1S/C29H48N2O2/c1-6-9-10-11-18-31-20-22-23-12-13-25(27(33)30(7-2)8-3)28(23,4)17-15-24(22)29(5)16-14-21(32)19-26(29)31/h19,22-25H,6-18,20H2,1-5H3/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	1.56E+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