BDBM23572 2-{[3-(diethylsulfamoyl)-4-phenylbenzene]amido}benzoic acid::Diethylsulfonamide Derivative, 13b
SMILES: CCN(CC)S(=O)(=O)c1cc(ccc1-c1ccccc1)C(=O)Nc1ccccc1C(O)=O
InChI Key: InChIKey=KMMZRKJPMPMXAM-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
beta-Ketoacyl-ACP Synthase III (FabH) (Enterococcus faecalis) | BDBM23572 (2-{[3-(diethylsulfamoyl)-4-phenylbenzene]amido}ben...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shri G.S. Institute of Technology and Science Curated by ChEMBL | Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay | Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
beta-Ketoacyl-ACP Synthase III (FabH) (Enterococcus faecalis) | BDBM23572 (2-{[3-(diethylsulfamoyl)-4-phenylbenzene]amido}ben...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Quorex Pharmaceuticals Inc. | Assay Description The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a... | J Med Chem 48: 1596-609 (2005) Article DOI: 10.1021/jm049141s BindingDB Entry DOI: 10.7270/Q22B8W9H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |