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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 = 'BDBM50010062'   
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))
BDBM50010062
PNG
(CHEMBL84152 | [(2-Fluoro-6-methoxy-5-trifluorometh...)
Show SMILES COC(=O)N(CC(O)=O)C(=O)c1c(F)ccc2c(c(OC)ccc12)C(F)(F)F
Show InChI InChI=1S/C17H13F4NO6/c1-27-11-6-4-8-9(14(11)17(19,20)21)3-5-10(18)13(8)15(25)22(7-12(23)24)16(26)28-2/h3-6H,7H2,1-2H3,(H,23,24)
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase activity of the compound was measured on partially purified bovine lens preparations incubated in presense of 50 mM gl...


J Med Chem 34: 2504-20 (1991)


Article DOI: 10.1021/jm00112a029
BindingDB Entry DOI: 10.7270/Q2H9945P
More data for this
Ligand-Target Pair