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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldose reductase (ALR2)' and Ligand = 'BDBM50022396'   
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 (ALR2)


(Bos taurus (Cattle))
BDBM50022396
PNG
(7-trifluoromethylspiro[3,4-dihydro-2H-chromene-4,4...)
Show SMILES FC(F)(F)c1ccc2c(OCCC22NC(=O)NC2=O)c1
Show InChI InChI=1S/C12H9F3N2O3/c13-12(14,15)6-1-2-7-8(5-6)20-4-3-11(7)9(18)16-10(19)17-11/h1-2,5H,3-4H2,(H2,16,17,18,19)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase


J Med Chem 31: 230-43 (1988)


Article DOI: 10.1021/jm00396a037
BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair