BDBM50067397 (3S)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5(2'H)-tetrone::2'-(4-bromo-2-fluorobenzyl)-(3'S)-spiro[dihydro-1H-pyrrole-3,4'-(1',2',3',4'-tetrahydropyrrolo[1,2-a]pyrazine)]-1',2,3',5-tetraone::CHEMBL335776
SMILES: Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@]2(CC(=O)NC2=O)C1=O
InChI Key: InChIKey=QCVNMNYRNIMDKV-KRWDZBQOSA-N
Data: 2 IC50
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 (AR) (Homo sapiens (Human)) | BDBM50067397 ((3S)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition of aldose reductase | Bioorg Med Chem 15: 7865-77 (2007) Article DOI: 10.1016/j.bmc.2007.08.019 BindingDB Entry DOI: 10.7270/Q2QR4WV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Sus scrofa) | BDBM50067397 ((3S)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...) | 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 | 190 | 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 |