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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'PAK1' and Ligand = 'BDBM50437026'   
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
PAK1


(Homo sapiens (Human))
BDBM50437026
PNG
(CHEMBL2403056)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(F)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24ClFN6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(25)23(30-24)17-11-16(5-6-27)12-18(26)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437026
PNG
(CHEMBL2403056)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(F)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24ClFN6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(25)23(30-24)17-11-16(5-6-27)12-18(26)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.51E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair