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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 = 'BDBM50006381'   
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))
BDBM50006381
PNG
(3'-methyl-2,2',5-trioxo-2',3'-dihydro-1'H-spiro[im...)
Show SMILES CN1C(=O)Nc2ccc(OC(=O)C=Cc3ccccc3)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C20H16N4O5/c1-24-19(28)21-15-9-8-13(11-14(15)20(24)17(26)22-18(27)23-20)29-16(25)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,21,28)(H2,22,23,26,27)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/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