BDBM50346849 CHEMBL1796882

SMILES: COc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1

InChI Key: InChIKey=FSSCVMDNOUPESJ-NYPQDNDQSA-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 = 50346849   

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))	BDBM50346849 (CHEMBL1796882) Show SMILES COc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1 Show InChI InChI=1S/C21H17NO5S/c1-27-17-10-8-15(9-11-17)3-2-14-4-6-16(7-5-14)12-18-20(25)22(13-19(23)24)21(26)28-18/h2-12H,13H2,1H3,(H,23,24)/b3-2+,18-12-	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of bovine lens ALR2				Eur J Med Chem 46: 2797-806 (2011) Article DOI: 10.1016/j.ejmech.2011.03.068 BindingDB Entry DOI: 10.7270/Q2CF9QFF
					More data for this Ligand-Target Pair