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 = 'BDBM50340471'   

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)	BDBM50340471 ((1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-((S)-6...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:14| Show InChI InChI=1S/C26H43NO/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-27-24-15-19(28)11-13-26(24,5)23(20)12-14-25(21,22)4/h17-18,20-23H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,25-,26-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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
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