BDBM50340472 (1R,3aS,3bS,4S,9aR,9bS,11aR)-4,9a,11a-trimethyl-1-((R)-6-methylheptan-2-yl)-3,3a,3b,4,5,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridin-7(2H)-one::CHEMBL1762029

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C)N=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=NMAQZMWISGEZRY-DQGOXJFYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340472   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM50340472 ((1R,3aS,3bS,4S,9aR,9bS,11aR)-4,9a,11a-trimethyl-1-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C)N=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:15| Show InChI InChI=1S/C27H45NO/c1-17(2)8-7-9-18(3)21-10-11-22-25-19(4)28-24-16-20(29)12-14-27(24,6)23(25)13-15-26(21,22)5/h17-19,21-23,25H,7-16H2,1-6H3/t18-,19+,21-,22+,23+,25+,26-,27-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	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