BDBM50167950 3-(4-Chloro-phenylsulfamoyl)-thiophene-2-carboxylic acid::3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID::CHEMBL372227

SMILES: OC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=YRWKEEDITQJPCZ-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50167950   

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-lactamase AmpC (Escherichia coli)	BDBM50167950 (3-(4-Chloro-phenylsulfamoyl)-thiophene-2-carboxyli...) Show SMILES OC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Apparent inhibitory constant against beta-lactamase AmpC from Escherichia coli				J Med Chem 48: 3714-28 (2005)
					More data for this Ligand-Target Pair				3D Structure (crystal)