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10 similar compounds to monomer 50437029

Compile data set for download or QSAR
Wt: 448.9
BDBM50424538
Wt: 477.0
BDBM50437022
Wt: 469.3
BDBM50437024
Wt: 483.3
BDBM50437025
Wt: 466.9
BDBM50437026
Wt: 507.4
BDBM50437027
Wt: 507.4
BDBM50437028
Wt: 493
BDBM50437037
Wt: 462.9
BDBM50437038
Wt: 434.9
BDBM50437039

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50424538,50437022,50437024,50437025,50437026,50437027,50437028,50437037,50437038,50437039   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PAK1


(Homo sapiens (Human))
BDBM50437022
PNG
(CHEMBL2403060)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(C)(C)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H29ClN6O/c1-26(2,17-28)19-7-5-6-18(14-19)24-21(27)16-29-25(31-24)30-20-8-9-22(23(15-20)34-4)33-12-10-32(3)11-13-33/h5-9,14-16H,10-13H2,1-4H3,(H,29,30,31)
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n/an/a 985n/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
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/a 65n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437025
PNG
(CHEMBL2403057)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24Cl2N6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(26)23(30-24)17-11-16(5-6-27)12-18(25)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/a 103n/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)
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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))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/a 110n/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))
BDBM50437027
PNG
(CHEMBL2403080)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/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)/t17-/m1/s1
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n/an/an/an/a 3.59E+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
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/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)/t17-/m0/s1
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n/an/an/an/a 1.04E+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
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/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)/t17-/m0/s1
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n/an/an/an/a 1.06E+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
PAK1


(Homo sapiens (Human))
BDBM50437037
PNG
(CHEMBL2403068)
Show SMILES COCCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H29ClN6O2/c1-32-10-12-33(13-11-32)23-7-6-21(17-24(23)35-15-14-34-2)30-26-29-18-22(27)25(31-26)20-5-3-4-19(16-20)8-9-28/h3-7,16-18H,8,10-15H2,1-2H3,(H,29,30,31)
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n/an/an/an/a 9.14E+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
PAK1


(Homo sapiens (Human))
BDBM50437038
PNG
(CHEMBL2403067)
Show SMILES CCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O/c1-3-33-23-16-20(7-8-22(23)32-13-11-31(2)12-14-32)29-25-28-17-21(26)24(30-25)19-6-4-5-18(15-19)9-10-27/h4-8,15-17H,3,9,11-14H2,1-2H3,(H,28,29,30)
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n/an/an/an/a 3.78E+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
PAK1


(Homo sapiens (Human))
BDBM50437039
PNG
(CHEMBL2403066)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1O
Show InChI InChI=1S/C23H23ClN6O/c1-29-9-11-30(12-10-29)20-6-5-18(14-21(20)31)27-23-26-15-19(24)22(28-23)17-4-2-3-16(13-17)7-8-25/h2-6,13-15,31H,7,9-12H2,1H3,(H,26,27,28)
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n/an/an/an/a 7.99E+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
PAK1


(Homo sapiens (Human))
BDBM50437022
PNG
(CHEMBL2403060)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(C)(C)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H29ClN6O/c1-26(2,17-28)19-7-5-6-18(14-19)24-21(27)16-29-25(31-24)30-20-8-9-22(23(15-20)34-4)33-12-10-32(3)11-13-33/h5-9,14-16H,10-13H2,1-4H3,(H,29,30,31)
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n/an/an/an/a 2.35E+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
PAK1


(Homo sapiens (Human))
BDBM50437024
PNG
(CHEMBL2403058)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(c2)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c1-30-5-7-31(8-6-30)20-4-3-18(12-21(20)32-2)28-23-27-14-19(25)22(29-23)16-9-15(13-26)10-17(24)11-16/h3-4,9-12,14H,5-8H2,1-2H3,(H,27,28,29)
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n/an/an/an/a 3.95E+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
PAK1


(Homo sapiens (Human))
BDBM50437025
PNG
(CHEMBL2403057)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24Cl2N6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(26)23(30-24)17-11-16(5-6-27)12-18(25)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/an/an/a 4.72E+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
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)
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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
PAK1


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/an/an/a 4.73E+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
PAK1


(Homo sapiens (Human))
BDBM50437027
PNG
(CHEMBL2403080)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/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)/t17-/m1/s1
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n/an/a 72n/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))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/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)/t17-/m0/s1
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n/an/a 65n/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))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/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)/t17-/m0/s1
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n/an/a 61n/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))
BDBM50437037
PNG
(CHEMBL2403068)
Show SMILES COCCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H29ClN6O2/c1-32-10-12-33(13-11-32)23-7-6-21(17-24(23)35-15-14-34-2)30-26-29-18-22(27)25(31-26)20-5-3-4-19(16-20)8-9-28/h3-7,16-18H,8,10-15H2,1-2H3,(H,29,30,31)
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n/an/a 2.88E+3n/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))
BDBM50437038
PNG
(CHEMBL2403067)
Show SMILES CCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O/c1-3-33-23-16-20(7-8-22(23)32-13-11-31(2)12-14-32)29-25-28-17-21(26)24(30-25)19-6-4-5-18(15-19)9-10-27/h4-8,15-17H,3,9,11-14H2,1-2H3,(H,28,29,30)
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n/an/a 957n/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))
BDBM50437039
PNG
(CHEMBL2403066)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1O
Show InChI InChI=1S/C23H23ClN6O/c1-29-9-11-30(12-10-29)20-6-5-18(14-21(20)31)27-23-26-15-19(24)22(28-23)17-4-2-3-16(13-17)7-8-25/h2-6,13-15,31H,7,9-12H2,1H3,(H,26,27,28)
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n/an/a 674n/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
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/a 5.40n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/an/a 86n/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Competitive binding affinity to TNIK (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437024
PNG
(CHEMBL2403058)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(c2)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c1-30-5-7-31(8-6-30)20-4-3-18(12-21(20)32-2)28-23-27-14-19(25)22(29-23)16-9-15(13-26)10-17(24)11-16/h3-4,9-12,14H,5-8H2,1-2H3,(H,27,28,29)
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n/an/a 227n/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