BDBM50016239 CHEMBL3262469

SMILES: COc1ccc(\C=C2/SC(=S)NC2=O)cc1OCC(N)=O

InChI Key: InChIKey=MLAYDSMCVVEPNF-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 = 50016239   

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))	BDBM50016239 (CHEMBL3262469) Show SMILES COc1ccc(\C=C2/SC(=S)NC2=O)cc1OCC(N)=O Show InChI InChI=1S/C13H12N2O4S2/c1-18-8-3-2-7(4-9(8)19-6-11(14)16)5-10-12(17)15-13(20)21-10/h2-5H,6H2,1H3,(H2,14,16)(H,15,17,20)/b10-5-	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20E+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