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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione reductase' and Ligand = 'BDBM50015950'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutathione reductase


(Saccharomyces cerevisiae)
BDBM50015950
PNG
(1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...)
Show SMILES ClCCNC(=O)N(CCCl)N=O
Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 4.41E+5n/an/an/an/a7.4n/a



South Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C


J Med Chem 48: 5224-31 (2005)


Article DOI: 10.1021/jm050030i
BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
More data for this
Ligand-Target Pair