BDBM50067377 2'-(2,4-dimethoxybenzyl)spiro[tetrahydro-1H-pyrrole-3,4'-(1',2',3',4'-tetrahydropyrrolo[1,2-a]pyrazine)]-1',2,3',5-tetraone::CHEMBL133721

SMILES: COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(OC)c1

InChI Key: InChIKey=ZIXFWQDAUXZZQK-UHFFFAOYSA-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 = 50067377   

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 (Sus scrofa)	BDBM50067377 (2'-(2,4-dimethoxybenzyl)spiro[tetrahydro-1H-pyrrol...) Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(OC)c1 Show InChI InChI=1S/C19H17N3O6/c1-27-12-6-5-11(14(8-12)28-2)10-21-16(24)13-4-3-7-22(13)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair