BDBM50324679 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID::2-acetamidothiophene-3-carboxylate::2-acetamidothiophene-3-carboxylic acid::CHEMBL1213612

SMILES: CC(=O)Nc1sccc1C(O)=O

InChI Key: InChIKey=RCEBHKDQZCVBTC-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 = 50324679   

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)	BDBM50324679 (2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID | 2-ace...) Show SMILES CC(=O)Nc1sccc1C(O)=O Show InChI InChI=1S/C7H7NO3S/c1-4(9)8-6-5(7(10)11)2-3-12-6/h2-3H,1H3,(H,8,9)(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry				Nat Chem Biol 2: 720-3 (2006) Article DOI: 10.1038/nchembio831 BindingDB Entry DOI: 10.7270/Q2FN16DF
					More data for this Ligand-Target Pair				3D Structure (crystal)