BDBM50346848 CHEMBL1796881

SMILES: Cc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1

InChI Key: InChIKey=ODQUCWBIUHENKK-CMPYXSCOSA-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 = 50346848   

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))	BDBM50346848 (CHEMBL1796881) Show SMILES Cc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1 Show InChI InChI=1S/C21H17NO4S/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)12-18-20(25)22(13-19(23)24)21(26)27-18/h2-12H,13H2,1H3,(H,23,24)/b7-6+,18-12-	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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