BDBM8714 (2S)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide::1,4-Benzodiazepine deriv. 3::methyl 2-[(2S)-4-methyl-7-{methyl[(1-methyl-1H-indol-2-yl)methyl]carbamoyl}-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetate

SMILES COC(=O)C[C@@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C

InChI Key InChIKey=SMHQHIYGXNMNCE-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 8714   

TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
Glaxosmithkline

LigandPNGBDBM8714((2S)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...)
Affinity DataIC50: 6.76E+5nMpH: 6.5 T: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2006
Entry Details Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Haemophilus influenzae (strain ATCC 51907 / DSM 11...)
Glaxosmithkline

LigandPNGBDBM8714((2S)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...)
Affinity DataIC50: 1.00E+5nMT: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2006
Entry Details Article
PubMed