BDBM50038853 2-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone::CHEMBL293451

SMILES: FC(F)(F)c1ccc2sc(CN3C(=O)c4ccccc4C4(CC(=O)NC4=O)C3=O)nc2c1

InChI Key: InChIKey=PQQXXUSIXVOGFT-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 = 50038853   

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))	BDBM50038853 (2-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]meth...) Show SMILES FC(F)(F)c1ccc2sc(CN3C(=O)c4ccccc4C4(CC(=O)NC4=O)C3=O)nc2c1 Show InChI InChI=1S/C21H12F3N3O4S/c22-21(23,24)10-5-6-14-13(7-10)25-16(32-14)9-27-17(29)11-3-1-2-4-12(11)20(19(27)31)8-15(28)26-18(20)30/h1-7H,8-9H2,(H,26,28,30)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	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