BDBM50038854 2-(4-methoxybenzyl)-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone::CHEMBL294587

SMILES: COc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1

InChI Key: InChIKey=CXXXIENTZYURJX-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 = 50038854   

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))	BDBM50038854 (2-(4-methoxybenzyl)-1H,2'H,5'H-spiro[isoquinoline-...) Show SMILES COc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C20H16N2O5/c1-27-13-8-6-12(7-9-13)11-22-17(24)14-4-2-3-5-15(14)20(19(22)26)10-16(23)21-18(20)25/h2-9H,10-11H2,1H3,(H,21,23,25)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair