BDBM50340480 (9aS,9bS,12S,12aS,14aS,14bR)-N,N-diethyl-12a,14b-dimethyl-3-oxo-1,2,3,4,5,6,7,9,9a,9b,10,11,12,12a,13,14,14a,14b-octadecahydroazepino[3,2,1-de]cyclopenta[i]phenanthridine-12-carboxamide::CHEMBL1762037

SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN4CCCCC5=C4[C@](C)(CCC5=O)[C@H]3CC[C@]12C

InChI Key InChIKey=CKPFIIRGMTXXKE-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340480   

Target3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50340480((9aS,9bS,12S,12aS,14aS,14bR)-N,N-diethyl-12a,14b-d...)
Affinity DataIC50: 4.30E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed