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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 = 'BDBM50006392'   
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))
BDBM50006392
PNG
(6',8'-dichloro-7'-methoxy-3'-methyl-1'H,2H,5H-spir...)
Show SMILES COc1c(Cl)cc2c(NC(=O)N(C)C22NC(=O)NC2=O)c1Cl
Show InChI InChI=1S/C12H10Cl2N4O4/c1-18-11(21)15-7-4(3-5(13)8(22-2)6(7)14)12(18)9(19)16-10(20)17-12/h3H,1-2H3,(H,15,21)(H2,16,17,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens


J Med Chem 35: 2085-94 (1992)


Article DOI: 10.1021/jm00089a021
BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair