BDBM50340476 (1S,3aS,3bS,9aR,9bS,11aS)-N,N,6-triethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide]::CHEMBL1762033
SMILES: CCC1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)N(CC)CC)[C@@H]3CN=C12
InChI Key: InChIKey=QQQFEBCXAWYYGC-HNFWUOHQSA-N
Data: 1 IC50
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) | BDBM50340476 ((1S,3aS,3bS,9aR,9bS,11aS)-N,N,6-triethyl-9a,11a-di...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.60E+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 |