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PubMed code 24432870

Compile data set for download or QSAR
Found 42 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 4


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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3.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM101536
PNG
(CHEMBL3128043 | US8530494, 203 | US8530652, 114 | ...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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15n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-6-tagged recombinant human PAK1 using peptide substrate


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM101536
PNG
(CHEMBL3128043 | US8530494, 203 | US8530652, 114 | ...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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15n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448778
PNG
(CHEMBL3128052)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2nc(C)n(-c3ncnc(N)n3)c2c1 |r|
Show InChI InChI=1S/C19H17N7O2/c1-11-8-16(25-28-11)19(3,27)7-6-13-4-5-14-15(9-13)26(12(2)23-14)18-22-10-21-17(20)24-18/h4-5,8-10,27H,1-3H3,(H2,20,21,22,24)/t19-/m1/s1
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32n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM101536
PNG
(CHEMBL3128043 | US8530494, 203 | US8530652, 114 | ...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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36n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM101536
PNG
(CHEMBL3128043 | US8530494, 203 | US8530652, 114 | ...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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36n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-6-tagged recombinant human PAK4 using peptide substrate


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448775
PNG
(CHEMBL3128055)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C17H19N7O/c1-4-19-15-22-12-6-5-11(7-8-17(2,3)25)9-13(12)24(15)16-21-10-20-14(18)23-16/h5-6,9-10,25H,4H2,1-3H3,(H,19,22)(H2,18,20,21,23)
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60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448780
PNG
(CHEMBL3128050)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C19H20N6O/c1-13-23-15-6-5-14(7-10-19(26)8-3-2-4-9-19)11-16(15)25(13)18-22-12-21-17(20)24-18/h5-6,11-12,26H,2-4,8-9H2,1H3,(H2,20,21,22,24)
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68n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448773
PNG
(CHEMBL3128057)
Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1
Show InChI InChI=1S/C16H15N5O/c1-16(2,22)7-5-11-3-4-12-10-19-21(13(12)9-11)14-6-8-18-15(17)20-14/h3-4,6,8-10,22H,1-2H3,(H2,17,18,20)
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120n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448772
PNG
(CHEMBL3128041)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C19H22N6O2/c1-19(2,26)8-6-13-4-5-14-15(12-13)25(16-7-9-21-17(20)24-16)18(23-14)22-10-11-27-3/h4-5,7,9,12,26H,10-11H2,1-3H3,(H,22,23)(H2,20,21,24)
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140n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448779
PNG
(CHEMBL3128051)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@]1(O)C[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1S/C20H20N6O/c1-12-24-16-5-3-13(6-7-20(27)10-14-2-4-15(20)8-14)9-17(16)26(12)19-23-11-22-18(21)25-19/h3,5,9,11,14-15,27H,2,4,8,10H2,1H3,(H2,21,22,23,25)/t14-,15+,20-/m1/s1
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190n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448770
PNG
(CHEMBL3128044)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C16H16N6O/c1-10-20-12-5-4-11(6-7-16(2,3)23)8-13(12)22(10)15-19-9-18-14(17)21-15/h4-5,8-9,23H,1-3H3,(H2,17,18,19,21)
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500n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448777
PNG
(CHEMBL3128053)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1nccs1 |r|
Show InChI InChI=1S/C18H15N7OS/c1-11-23-13-4-3-12(5-6-18(2,26)15-20-7-8-27-15)9-14(13)25(11)17-22-10-21-16(19)24-17/h3-4,7-10,26H,1-2H3,(H2,19,21,22,24)/t18-/m1/s1
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600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448769
PNG
(CHEMBL3128047)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CC1CC1
Show InChI InChI=1S/C19H20N6O/c1-12-23-15-6-5-13(7-8-19(2,26)10-14-3-4-14)9-16(15)25(12)18-22-11-21-17(20)24-18/h5-6,9,11,14,26H,3-4,10H2,1-2H3,(H2,20,21,22,24)
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670n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448774
PNG
(CHEMBL3128056)
Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1
Show InChI InChI=1S/C16H15N5O/c1-16(2,22)6-5-11-3-4-12-9-20-21(13(12)7-11)15-8-14(17)18-10-19-15/h3-4,7-10,22H,1-2H3,(H2,17,18,19)
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1.30E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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2.90E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448776
PNG
(CHEMBL3128054)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)c1ncccn1
Show InChI InChI=1S/C19H16N8O/c1-12-25-14-5-4-13(6-7-19(2,28)16-21-8-3-9-22-16)10-15(14)27(12)18-24-11-23-17(20)26-18/h3-5,8-11,28H,1-2H3,(H2,20,23,24,26)
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>2.90E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448783
PNG
(CHEMBL3128046)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CO
Show InChI InChI=1S/C16H16N6O2/c1-10-20-12-4-3-11(5-6-16(2,24)8-23)7-13(12)22(10)15-19-9-18-14(17)21-15/h3-4,7,9,23-24H,8H2,1-2H3,(H2,17,18,19,21)
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>2.90E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448782
PNG
(CHEMBL3128048)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)COC1
Show InChI InChI=1S/C16H14N6O2/c1-10-20-12-3-2-11(4-5-16(23)7-24-8-16)6-13(12)22(10)15-19-9-18-14(17)21-15/h2-3,6,9,23H,7-8H2,1H3,(H2,17,18,19,21)
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>2.90E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448784
PNG
(CHEMBL3128045)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)CO
Show InChI InChI=1S/C17H18N6O/c1-11-21-13-5-4-12(6-7-17(2,3)9-24)8-14(13)23(11)16-20-10-19-15(18)22-16/h4-5,8,10,24H,9H2,1-3H3,(H2,18,19,20,22)
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>2.90E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448781
PNG
(CHEMBL3128049)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCOC1
Show InChI InChI=1S/C18H18N6O2/c1-12-22-14-4-3-13(5-7-18(25)6-2-8-26-10-18)9-15(14)24(12)17-21-11-20-16(19)23-17/h3-4,9,11,25H,2,6,8,10H2,1H3,(H2,19,20,21,23)
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>2.90E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448780
PNG
(CHEMBL3128050)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C19H20N6O/c1-13-23-15-6-5-14(7-10-19(26)8-3-2-4-9-19)11-16(15)25(13)18-22-12-21-17(20)24-18/h5-6,11-12,26H,2-4,8-9H2,1H3,(H2,20,21,22,24)
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>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448784
PNG
(CHEMBL3128045)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)CO
Show InChI InChI=1S/C17H18N6O/c1-11-21-13-5-4-12(6-7-17(2,3)9-24)8-14(13)23(11)16-20-10-19-15(18)22-16/h4-5,8,10,24H,9H2,1-3H3,(H2,18,19,20,22)
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448782
PNG
(CHEMBL3128048)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)COC1
Show InChI InChI=1S/C16H14N6O2/c1-10-20-12-3-2-11(4-5-16(23)7-24-8-16)6-13(12)22(10)15-19-9-18-14(17)21-15/h2-3,6,9,23H,7-8H2,1H3,(H2,17,18,19,21)
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>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448779
PNG
(CHEMBL3128051)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@]1(O)C[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1S/C20H20N6O/c1-12-24-16-5-3-13(6-7-20(27)10-14-2-4-15(20)8-14)9-17(16)26(12)19-23-11-22-18(21)25-19/h3,5,9,11,14-15,27H,2,4,8,10H2,1H3,(H2,21,22,23,25)/t14-,15+,20-/m1/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448776
PNG
(CHEMBL3128054)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)c1ncccn1
Show InChI InChI=1S/C19H16N8O/c1-12-25-14-5-4-13(6-7-19(2,28)16-21-8-3-9-22-16)10-15(14)27(12)18-24-11-23-17(20)26-18/h3-5,8-11,28H,1-2H3,(H2,20,23,24,26)
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>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448783
PNG
(CHEMBL3128046)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CO
Show InChI InChI=1S/C16H16N6O2/c1-10-20-12-4-3-11(5-6-16(2,24)8-23)7-13(12)22(10)15-19-9-18-14(17)21-15/h3-4,7,9,23-24H,8H2,1-2H3,(H2,17,18,19,21)
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448778
PNG
(CHEMBL3128052)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2nc(C)n(-c3ncnc(N)n3)c2c1 |r|
Show InChI InChI=1S/C19H17N7O2/c1-11-8-16(25-28-11)19(3,27)7-6-13-4-5-14-15(9-13)26(12(2)23-14)18-22-10-21-17(20)24-18/h4-5,8-10,27H,1-3H3,(H2,20,21,22,24)/t19-/m1/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448775
PNG
(CHEMBL3128055)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C17H19N7O/c1-4-19-15-22-12-6-5-11(7-8-17(2,3)25)9-13(12)24(15)16-21-10-20-14(18)23-16/h5-6,9-10,25H,4H2,1-3H3,(H,19,22)(H2,18,20,21,23)
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>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448769
PNG
(CHEMBL3128047)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CC1CC1
Show InChI InChI=1S/C19H20N6O/c1-12-23-15-6-5-13(7-8-19(2,26)10-14-3-4-14)9-16(15)25(12)18-22-11-21-17(20)24-18/h5-6,9,11,14,26H,3-4,10H2,1-2H3,(H2,20,21,22,24)
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448781
PNG
(CHEMBL3128049)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCOC1
Show InChI InChI=1S/C18H18N6O2/c1-12-22-14-4-3-13(5-7-18(25)6-2-8-26-10-18)9-15(14)24(12)17-21-11-20-16(19)23-17/h3-4,9,11,25H,2,6,8,10H2,1H3,(H2,19,20,21,23)
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448772
PNG
(CHEMBL3128041)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C19H22N6O2/c1-19(2,26)8-6-13-4-5-14-15(12-13)25(16-7-9-21-17(20)24-16)18(23-14)22-10-11-27-3/h4-5,7,9,12,26H,10-11H2,1-3H3,(H,22,23)(H2,20,21,24)
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>4.50E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448774
PNG
(CHEMBL3128056)
Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1
Show InChI InChI=1S/C16H15N5O/c1-16(2,22)6-5-11-3-4-12-9-20-21(13(12)7-11)15-8-14(17)18-10-19-15/h3-4,7-10,22H,1-2H3,(H2,17,18,19)
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448773
PNG
(CHEMBL3128057)
Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1
Show InChI InChI=1S/C16H15N5O/c1-16(2,22)7-5-11-3-4-12-10-19-21(13(12)9-11)14-6-8-18-15(17)20-14/h3-4,6,8-10,22H,1-2H3,(H2,17,18,20)
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448777
PNG
(CHEMBL3128053)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1nccs1 |r|
Show InChI InChI=1S/C18H15N7OS/c1-11-23-13-4-3-12(5-6-18(2,26)15-20-7-8-27-15)9-14(13)25(11)17-22-10-21-16(19)24-17/h3-4,7-10,26H,1-2H3,(H2,19,21,22,24)/t18-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448770
PNG
(CHEMBL3128044)
Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C16H16N6O/c1-10-20-12-5-4-11(6-7-16(2,3)23)8-13(12)22(10)15-19-9-18-14(17)21-15/h4-5,8-9,23H,1-3H3,(H2,17,18,19,21)
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1.53E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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n/an/a 7.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK6


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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n/an/a 36n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK6 (unknown origin)


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK7


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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n/an/a 126n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK5 (unknown origin)


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p21-Activated kinase 2 (PAK2)


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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PDB
Article
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n/an/a 970n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK2 (unknown origin)


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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n/an/a 5.42E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p21-Activated kinase 3 (PAK3)


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
PDB

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antibodypedia
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK3 (unknown origin)


J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%