BDBM50067401 2'-(4-bromo-2-fluorobenzyl)-6'-chlorospiro[tetrahydro-1H-pyrrole-3,4'-(1',2',3',4'-tetrahydropyrrolo[1,2-a]pyrazine)]-1',2,3',5-tetraone::CHEMBL443545

SMILES: Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)n2C2(CC(=O)NC2=O)C1=O

InChI Key: InChIKey=LOBYUDBWSYAVFI-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 = 50067401   

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)	BDBM50067401 (2'-(4-bromo-2-fluorobenzyl)-6'-chlorospiro[tetrahy...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)n2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10BrClFN3O4/c18-9-2-1-8(10(20)5-9)7-22-14(25)11-3-4-12(19)23(11)17(16(22)27)6-13(24)21-15(17)26/h1-5H,6-7H2,(H,21,24,26)	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	35	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