BDBM50213307 CHEMBL396176::[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid::[5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid

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

InChI Key: InChIKey=DLKPSHJFPIKYCB-WZUFQYTHSA-N

Data: 2 IC50

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 2 hits for monomerid = 50213307   

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))	BDBM50213307 (CHEMBL396176 | [(5Z)-5-{[3-(carboxymethoxy)-4-meth...) Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O Show InChI InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5-	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of bovine aldose reductase				Bioorg Med Chem Lett 17: 3886-93 (2007) Article DOI: 10.1016/j.bmcl.2007.04.109 BindingDB Entry DOI: 10.7270/Q27P9077
					More data for this Ligand-Target Pair
Aldehyde reductase (Sus scrofa)	BDBM50213307 (CHEMBL396176 | [(5Z)-5-{[3-(carboxymethoxy)-4-meth...) Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O Show InChI InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5-	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry				Eur J Med Chem 45: 1140-5 (2010) Article DOI: 10.1016/j.ejmech.2009.12.019 BindingDB Entry DOI: 10.7270/Q27081KV
					More data for this Ligand-Target Pair				3D Structure (crystal)