BDBM8717 3-[(N-Acetyl-N-methylamino)methyl]-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)benzamide::N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-[(N-methylacetamido)methyl]benzamide::benzamide deriv. 6
SMILES: CN(Cc1cc2ccccc2n1C)C(=O)c1cccc(CN(C)C(C)=O)c1
InChI Key: InChIKey=RMNMNSNCWZYBEG-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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) | BDBM8717 (3-[(N-Acetyl-N-methylamino)methyl]-N-methyl-N-(1-m...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.21E+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) | BDBM8717 (3-[(N-Acetyl-N-methylamino)methyl]-N-methyl-N-(1-m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.07E+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 |