BDBM50038860 2-(4-bromo-2-fluorobenzyl)-7-methoxy-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone::CHEMBL66469

SMILES: COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O

InChI Key: InChIKey=JZYYCRLSGKPGCD-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 = 50038860   

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))	BDBM50038860 (2-(4-bromo-2-fluorobenzyl)-7-methoxy-1H,2'H,5'H-sp...) Show SMILES COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O Show InChI InChI=1S/C20H14BrFN2O5/c1-29-12-4-5-14-13(7-12)17(26)24(9-10-2-3-11(21)6-15(10)22)19(28)20(14)8-16(25)23-18(20)27/h2-7H,8-9H2,1H3,(H,23,25,27)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	37	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