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PubMed code 27167326

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
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))		BDBM50181451
PNG
(CHEMBL3818265)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1
Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31)
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 0.950n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50181451
PNG
(CHEMBL3818265)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1
Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31)
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 2n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50181449
PNG
(CHEMBL3817856)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC3CCNCC3(F)F)c2n1
Show InChI InChI=1S/C26H25ClF2N6O2/c1-15-4-3-9-34(23(15)36)18-5-6-19(21(27)11-18)20-10-16-12-32-25(30-2)33-22(16)35(24(20)37)13-17-7-8-31-14-26(17,28)29/h3-6,9-12,17,31H,7-8,13-14H2,1-2H3,(H,30,32,33)
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 2.70n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182295
PNG
(CHEMBL3818046)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C23H23ClN6O/c1-14-5-3-6-20(28-14)15-7-8-17(19(24)12-15)18-11-16-13-27-23(26-2)29-21(16)30(22(18)31)10-4-9-25/h3,5-8,11-13H,4,9-10,25H2,1-2H3,(H,26,27,29)
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 3.30n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182290
PNG
(CHEMBL3819356)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C23H23ClN6O2/c1-14-5-3-9-29(21(14)31)16-6-7-17(19(24)12-16)18-11-15-13-27-23(26-2)28-20(15)30(22(18)32)10-4-8-25/h3,5-7,9,11-13H,4,8,10,25H2,1-2H3,(H,26,27,28)
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 3.5n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50148921
PNG
(CHEMBL3770443)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
Show InChI InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-
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 3.70n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50181450
PNG
(CHEMBL3818828)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC3CN(C)C3)c2n1
Show InChI InChI=1S/C26H27ClN6O3/c1-16-5-4-8-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-29-26(28-2)30-23(17)33(25(21)35)9-10-36-19-14-31(3)15-19/h4-8,11-13,19H,9-10,14-15H2,1-3H3,(H,28,29,30)
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 4.40n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50182399
PNG
(CHEMBL3818479)
Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O
Show InChI InChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)
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 4.60n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182287
PNG
(CHEMBL3818592)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccnc(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C22H22ClN7O2/c1-13-20(31)29(9-7-26-13)15-4-5-16(18(23)11-15)17-10-14-12-27-22(25-2)28-19(14)30(21(17)32)8-3-6-24/h4-5,7,9-12H,3,6,8,24H2,1-2H3,(H,25,27,28)
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 4.60n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182399
PNG
(CHEMBL3818479)
Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O
Show InChI InChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)
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 5.20n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182399
PNG
(CHEMBL3818479)
Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O
Show InChI InChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)
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 5.20n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182405
PNG
(CHEMBL3818016)
Show SMILES COCCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O
Show InChI InChI=1S/C25H24ClN5O4/c1-15-4-3-7-30(23(15)32)18-5-6-19(21(26)11-18)20-10-16-12-27-25(28-17-13-35-14-17)29-22(16)31(24(20)33)8-9-34-2/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,27,28,29)
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 5.90n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182294
PNG
(CHEMBL3817984)
Show SMILES CCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O
Show InChI InChI=1S/C24H22ClN5O3/c1-3-29-21-15(11-26-24(28-21)27-16-12-33-13-16)9-19(23(29)32)18-7-6-17(10-20(18)25)30-8-4-5-14(2)22(30)31/h4-11,16H,3,12-13H2,1-2H3,(H,26,27,28)
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 6.30n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182288
PNG
(CHEMBL3818432)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C22H22ClN7O2/c1-13-10-26-12-30(20(13)31)15-4-5-16(18(23)9-15)17-8-14-11-27-22(25-2)28-19(14)29(21(17)32)7-3-6-24/h4-5,8-12H,3,6-7,24H2,1-2H3,(H,25,27,28)
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 6.70n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182293
PNG
(CHEMBL3817890)
Show SMILES CCn1c2nc(NC)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O
Show InChI InChI=1S/C22H20ClN5O2/c1-4-27-19-14(12-25-22(24-3)26-19)10-17(21(27)30)16-8-7-15(11-18(16)23)28-9-5-6-13(2)20(28)29/h5-12H,4H2,1-3H3,(H,24,25,26)
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 8n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50181448
PNG
(CHEMBL3818233)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC(F)(F)CN)c2n1
Show InChI InChI=1S/C23H21ClF2N6O2/c1-13-4-3-7-31(20(13)33)15-5-6-16(18(24)9-15)17-8-14-10-29-22(28-2)30-19(14)32(21(17)34)12-23(25,26)11-27/h3-10H,11-12,27H2,1-2H3,(H,28,29,30)
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 9n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50181452
PNG
(CHEMBL3819118)
Show SMILES CCc1cccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC)nc3n(C[C@H]3CNCCO3)c2=O)c1=O |r|
Show InChI InChI=1S/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/m1/s1
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 9.5n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50181452
PNG
(CHEMBL3819118)
Show SMILES CCc1cccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC)nc3n(C[C@H]3CNCCO3)c2=O)c1=O |r|
Show InChI InChI=1S/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/m1/s1
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 11n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50148921
PNG
(CHEMBL3770443)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
Show InChI InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-
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 11n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182297
PNG
(CHEMBL3818372)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccn(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C21H22ClN7O2/c1-24-20-25-12-13-10-16(19(30)29(7-3-6-23)18(13)26-20)15-5-4-14(11-17(15)22)28-9-8-27(2)21(28)31/h4-5,8-12H,3,6-7,23H2,1-2H3,(H,24,25,26)
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 13n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182292
PNG
(CHEMBL3818273)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC)c2n1
Show InChI InChI=1S/C23H22ClN5O3/c1-14-5-4-8-28(21(14)30)16-6-7-17(19(24)12-16)18-11-15-13-26-23(25-2)27-20(15)29(22(18)31)9-10-32-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,27)
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 13n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182291
PNG
(CHEMBL3818138)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCO)c2n1
Show InChI InChI=1S/C22H20ClN5O3/c1-13-4-3-7-27(20(13)30)15-5-6-16(18(23)11-15)17-10-14-12-25-22(24-2)26-19(14)28(8-9-29)21(17)31/h3-7,10-12,29H,8-9H2,1-2H3,(H,24,25,26)
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 17n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50182294
PNG
(CHEMBL3817984)
Show SMILES CCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O
Show InChI InChI=1S/C24H22ClN5O3/c1-3-29-21-15(11-26-24(28-21)27-16-12-33-13-16)9-19(23(29)32)18-7-6-17(10-20(18)25)30-8-4-5-14(2)22(30)31/h4-11,16H,3,12-13H2,1-2H3,(H,26,27,28)
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 21n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182402
PNG
(CHEMBL3819447)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCOC)c2n1
Show InChI InChI=1S/C22H21ClN6O3/c1-13-10-25-12-29(20(13)30)15-4-5-16(18(23)9-15)17-8-14-11-26-22(24-2)27-19(14)28(21(17)31)6-7-32-3/h4-5,8-12H,6-7H2,1-3H3,(H,24,26,27)
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 22n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50148931
PNG
(CHEMBL3770186)
Show SMILES CCn1c2nc(NCCC3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncc(C)n2)c1=O
Show InChI InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34)
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 23n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182289
PNG
(CHEMBL3818326)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccccc3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C22H21ClN6O2/c1-25-22-26-13-14-11-17(21(31)29(10-4-8-24)20(14)27-22)16-7-6-15(12-18(16)23)28-9-3-2-5-19(28)30/h2-3,5-7,9,11-13H,4,8,10,24H2,1H3,(H,25,26,27)
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 36n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50182402
PNG
(CHEMBL3819447)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCOC)c2n1
Show InChI InChI=1S/C22H21ClN6O3/c1-13-10-25-12-29(20(13)30)15-4-5-16(18(23)9-15)17-8-14-11-26-22(24-2)27-19(14)28(21(17)31)6-7-32-3/h4-5,8-12H,6-7H2,1-3H3,(H,24,26,27)
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 39n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50148931
PNG
(CHEMBL3770186)
Show SMILES CCn1c2nc(NCCC3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncc(C)n2)c1=O
Show InChI InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34)
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 48n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182354
PNG
(CHEMBL3818217)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)N3CCN(C)C3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C21H24ClN7O2/c1-24-20-25-12-13-10-16(19(30)29(7-3-6-23)18(13)26-20)15-5-4-14(11-17(15)22)28-9-8-27(2)21(28)31/h4-5,10-12H,3,6-9,23H2,1-2H3,(H,24,25,26)
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 56n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182309
PNG
(CHEMBL3818571)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)N3CCCC3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C21H23ClN6O2/c1-24-21-25-12-13-10-16(20(30)28(9-3-7-23)19(13)26-21)15-6-5-14(11-17(15)22)27-8-2-4-18(27)29/h5-6,10-12H,2-4,7-9,23H2,1H3,(H,24,25,26)
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 89n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182404
PNG
(CHEMBL3819371)
Show SMILES Cc1cncc(n1)-c1ccc(c(Cl)c1)-c1cc2cncnc2n(C[C@H]2CC[C@H](N)CC2)c1=O |r,wU:27.30,wD:24.26,(-9.31,7.43,;-9.32,6.2,;-10.66,5.43,;-10.67,3.89,;-9.34,3.12,;-8,3.88,;-7.99,5.42,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-5.35,.78,;-5.36,-.45,;-6.68,1.56,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.39,-6.02,;-3.98,-6.17,;-2.65,-5.39,;-2.68,-.77,;-3.75,-1.39,)|
Show InChI InChI=1S/C25H25ClN6O/c1-15-10-28-12-23(31-15)17-4-7-20(22(26)9-17)21-8-18-11-29-14-30-24(18)32(25(21)33)13-16-2-5-19(27)6-3-16/h4,7-12,14,16,19H,2-3,5-6,13,27H2,1H3/t16-,19-
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 372n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182296
PNG
(CHEMBL3818088)
Show SMILES CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C17H18ClN5O/c1-20-17-21-10-11-9-13(12-5-2-3-6-14(12)18)16(24)23(8-4-7-19)15(11)22-17/h2-3,5-6,9-10H,4,7-8,19H2,1H3,(H,20,21,22)
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 382n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50182404
PNG
(CHEMBL3819371)
Show SMILES Cc1cncc(n1)-c1ccc(c(Cl)c1)-c1cc2cncnc2n(C[C@H]2CC[C@H](N)CC2)c1=O |r,wU:27.30,wD:24.26,(-9.31,7.43,;-9.32,6.2,;-10.66,5.43,;-10.67,3.89,;-9.34,3.12,;-8,3.88,;-7.99,5.42,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-5.35,.78,;-5.36,-.45,;-6.68,1.56,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.39,-6.02,;-3.98,-6.17,;-2.65,-5.39,;-2.68,-.77,;-3.75,-1.39,)|
Show InChI InChI=1S/C25H25ClN6O/c1-15-10-28-12-23(31-15)17-4-7-20(22(26)9-17)21-8-18-11-29-14-30-24(18)32(25(21)33)13-16-2-5-19(27)6-3-16/h4,7-12,14,16,19H,2-3,5-6,13,27H2,1H3/t16-,19-
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 940n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182401
PNG
(CHEMBL3818261)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccc(C)cc3=O)c(=O)n(C[C@H]3CNCCO3)c2n1 |r|
Show InChI InChI=1S/C25H25ClN6O3/c1-15-5-7-31(22(33)9-15)17-3-4-19(21(26)11-17)20-10-16-12-29-25(27-2)30-23(16)32(24(20)34)14-18-13-28-6-8-35-18/h3-5,7,9-12,18,28H,6,8,13-14H2,1-2H3,(H,27,29,30)/t18-/m1/s1
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 943n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182400
PNG
(CHEMBL3819633)
Show SMILES CNc1ncc2cc(-c3ccc(cc3C3CC3)-n3cccc(C)c3=O)c(=O)n(C[C@@H]3CNCCO3)c2n1 |r|
Show InChI InChI=1S/C28H30N6O3/c1-17-4-3-10-33(26(17)35)20-7-8-22(23(13-20)18-5-6-18)24-12-19-14-31-28(29-2)32-25(19)34(27(24)36)16-21-15-30-9-11-37-21/h3-4,7-8,10,12-14,18,21,30H,5-6,9,11,15-16H2,1-2H3,(H,29,31,32)/t21-/m0/s1
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 950n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50182401
PNG
(CHEMBL3818261)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccc(C)cc3=O)c(=O)n(C[C@H]3CNCCO3)c2n1 |r|
Show InChI InChI=1S/C25H25ClN6O3/c1-15-5-7-31(22(33)9-15)17-3-4-19(21(26)11-17)20-10-16-12-29-25(27-2)30-23(16)32(24(20)34)14-18-13-28-6-8-35-18/h3-5,7,9-12,18,28H,6,8,13-14H2,1-2H3,(H,27,29,30)/t18-/m1/s1
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 2.30E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50182400
PNG
(CHEMBL3819633)
Show SMILES CNc1ncc2cc(-c3ccc(cc3C3CC3)-n3cccc(C)c3=O)c(=O)n(C[C@@H]3CNCCO3)c2n1 |r|
Show InChI InChI=1S/C28H30N6O3/c1-17-4-3-10-33(26(17)35)20-7-8-22(23(13-20)18-5-6-18)24-12-19-14-31-28(29-2)32-25(19)34(27(24)36)16-21-15-30-9-11-37-21/h3-4,7-8,10,12-14,18,21,30H,5-6,9,11,15-16H2,1-2H3,(H,29,31,32)/t21-/m0/s1
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 3.67E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...

J Med Chem 59: 5520-41 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%