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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'p21-Activated kinase 1 (PAK1)'   
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
p21-Activated kinase 1 (PAK1)


(Homo sapiens (Human))
BDBM50112347
PNG
(CHEMBL3609327 | FRAX597)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
p21-Activated kinase 1 (PAK1)


(Homo sapiens (Human))
BDBM213235
PNG
(FRAX414)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C26H26Cl2N6O/c1-3-34-24-17(14-22(25(34)35)21-9-4-18(27)15-23(21)28)16-29-26(31-24)30-19-5-7-20(8-6-19)33-12-10-32(2)11-13-33/h4-9,14-16H,3,10-13H2,1-2H3,(H,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
p21-Activated kinase 1 (PAK1)


(Homo sapiens (Human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 483n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair