BDBM23570 2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benzoic acid::Diethylsulfonamide Derivative, 13a

SMILES: CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O

InChI Key: InChIKey=VNOMZKMKBNFCMC-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 23570   

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)	BDBM23570 (2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...) Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 (crystal)
2-heptyl-4(1H)-quinolone synthase PqsD (Pseudomonas aeruginosa)	BDBM23570 (2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...) Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PqsD				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH) (Enterococcus faecalis)	BDBM23570 (2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...) Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 (crystal)