BDBM23576 2-{[3-(diethylsulfamoyl)-4-(piperidin-1-yl)benzene]amido}benzoic acid::Diethylsulfonamide Derivative, 13f

SMILES: CCN(CC)S(=O)(=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1ccccc1C(O)=O

InChI Key: InChIKey=VMZZSKOYOWNANO-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 23576   

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)	BDBM23576 (2-{[3-(diethylsulfamoyl)-4-(piperidin-1-yl)benzene...) Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C23H29N3O5S/c1-3-26(4-2)32(30,31)21-16-17(12-13-20(21)25-14-8-5-9-15-25)22(27)24-19-11-7-6-10-18(19)23(28)29/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+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)	BDBM23576 (2-{[3-(diethylsulfamoyl)-4-(piperidin-1-yl)benzene...) Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C23H29N3O5S/c1-3-26(4-2)32(30,31)21-16-17(12-13-20(21)25-14-8-5-9-15-25)22(27)24-19-11-7-6-10-18(19)23(28)29/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+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)