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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldose reductase (AR)' and Ligand = 'BDBM50006464'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006464
PNG
(CHEMBL303210 | [4-Methyl-6-oxo-1-(5-trifluoromethy...)
Show SMILES Cc1cc(=O)n(Cc2nc3cc(ccc3s2)C(F)(F)F)nc1CC(O)=O
Show InChI InChI=1S/C16H12F3N3O3S/c1-8-4-14(23)22(21-10(8)6-15(24)25)7-13-20-11-5-9(16(17,18)19)2-3-12(11)26-13/h2-5H,6-7H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair