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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 = 'BDBM50009845'   
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))
BDBM50009845
PNG
(1-(3,4-Dichloro-benzyl)-4-hydroxy-5-oxo-2,5-dihydr...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O
Show InChI InChI=1S/C14H13Cl2NO4/c1-2-21-14(20)9-7-17(13(19)12(9)18)6-8-3-4-10(15)11(16)5-8/h3-5,9H,2,6-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair