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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 = 'BDBM50006367'   
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))
BDBM50006367
PNG
(3'-methyl-7'-morpholin-4-yl-6'-nitro-1'H,2H,5H-spi...)
Show SMILES CN1C(=O)Nc2cc(N3CCOCC3)c(cc2C11NC(=O)NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H16N6O6/c1-19-14(24)16-9-7-10(20-2-4-27-5-3-20)11(21(25)26)6-8(9)15(19)12(22)17-13(23)18-15/h6-7H,2-5H2,1H3,(H,16,24)(H2,17,18,22,23)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/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