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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PAK 1' and Ligand = 'BDBM50437034'   
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
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50437034
PNG
(CHEMBL2403071)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C#N
Show InChI InChI=1S/C24H22ClN7/c1-31-9-11-32(12-10-31)22-6-5-20(14-19(22)15-27)29-24-28-16-21(25)23(30-24)18-4-2-3-17(13-18)7-8-26/h2-6,13-14,16H,7,9-12H2,1H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 780n/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
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50437034
PNG
(CHEMBL2403071)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C#N
Show InChI InChI=1S/C24H22ClN7/c1-31-9-11-32(12-10-31)22-6-5-20(14-19(22)15-27)29-24-28-16-21(25)23(30-24)18-4-2-3-17(13-18)7-8-26/h2-6,13-14,16H,7,9-12H2,1H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.77E+4n/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