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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphoenolpyruvate carboxykinase cytosolic' and Monomerid = 50214011   
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
Phosphoenolpyruvate carboxykinase cytosolic


(Homo sapiens)
BDBM50214011
PNG
(1-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-pu...)
Show SMILES CCCCn1c2nc(Cc3ccc(N)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O
Show InChI InChI=1S/C23H24FN5O2/c1-2-3-12-28-21-20(26-19(27-21)13-15-8-10-17(25)11-9-15)22(30)29(23(28)31)14-16-6-4-5-7-18(16)24/h4-11H,2-3,12-14,25H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.56E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human cPEPCK


Bioorg Med Chem Lett 17: 3835-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.013
BindingDB Entry DOI: 10.7270/Q2BV7HF1
More data for this
Ligand-Target Pair