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-NRFANRHFSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-ACP Reductase (FabI) (Haemophilus influenzae) | BDBM8714 ((2S)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | 30 |
GlaxoSmithKline | Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... | J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus) | BDBM8714 ((2S)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.76E+5 | n/a | n/a | n/a | n/a | 6.5 | 30 |
GlaxoSmithKline | Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... | J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR | |||||||||||
More data for this Ligand-Target Pair |