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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'PAK1' and Ligand = 'BDBM50437029'   
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))
BDBM50437029
PNG
(CHEMBL2403077)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)C(C)C1
Show InChI InChI=1S/C25H27ClN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/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))
BDBM50437029
PNG
(CHEMBL2403077)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)C(C)C1
Show InChI InChI=1S/C25H27ClN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.39E+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