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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 = 'BDBM50022453'   
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))
BDBM50022453
PNG
(6,8-dimethylspiro[3,4-dihydro-2H-chromene-4,4'-(te...)
Show SMILES Cc1cc(C)c2OCCC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C13H14N2O3/c1-7-5-8(2)10-9(6-7)13(3-4-18-10)11(16)14-12(17)15-13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/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