BDBM50016237 CHEMBL3262471

SMILES: NC(=O)COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1

InChI Key: InChIKey=BUFFWEDMJQKLFV-YHYXMXQVSA-N

Data: 1 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 1 hit for monomerid = 50016237   

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
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM50016237 (CHEMBL3262471) Show SMILES NC(=O)COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1 Show InChI InChI=1S/C14H12N2O6S/c15-11(17)7-22-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(21)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH				Eur J Med Chem 81: 1-14 (2014) Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC
					More data for this Ligand-Target Pair