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PubMed code 29190083

Compile data set for download or QSAR
Found 69 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251114
PNG
(CHEMBL4076860)
Show SMILES CC[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H24ClN7O/c1-2-14-11-29(8-7-23-14)21(30)20-24-16-6-5-13(22)9-15(16)19(26-20)25-18-10-17(27-28-18)12-3-4-12/h5-6,9-10,12,14,23H,2-4,7-8,11H2,1H3,(H2,24,25,26,27,28)/t14-/m1/s1
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6n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251178
PNG
(CHEMBL4081464)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccc(Cl)cc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-16-8-13(21)4-5-14(16)18(25-19)24-17-9-15(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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7n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251098
PNG
(CHEMBL4097816)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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9n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251103
PNG
(CHEMBL4084054)
Show SMILES Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)c1
Show InChI InChI=1S/C17H20ClN7/c1-24-9-15(20-10-24)22-16-13-8-11(18)2-3-14(13)21-17(23-16)25-6-4-12(19)5-7-25/h2-3,8-10,12H,4-7,19H2,1H3,(H,21,22,23)
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>10n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251142
PNG
(CHEMBL4089338)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C20H22BrN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251179
PNG
(CHEMBL4076708)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7/c20-12-3-4-15-14(9-12)18(23-17-10-16(25-26-17)11-1-2-11)24-19(22-15)27-7-5-13(21)6-8-27/h3-4,9-11,13H,1-2,5-8,21H2,(H2,22,23,24,25,26)
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16n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251106
PNG
(CHEMBL4064068)
Show SMILES Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCNCC1
Show InChI InChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)17(23-16-10-15(25-26-16)11-1-2-11)24-18(22-14)19(28)27-7-5-21-6-8-27/h3-4,9-11,21H,1-2,5-8H2,(H2,22,23,24,25,26)
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16n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251140
PNG
(CHEMBL4059493)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(F)ccc2n1
Show InChI InChI=1S/C20H22FN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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16n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251111
PNG
(CHEMBL4090101)
Show SMILES C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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17n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251137
PNG
(CHEMBL4101547)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
Show InChI InChI=1S/C20H23N7O/c1-12-11-27(9-8-21-12)20(28)19-22-15-5-3-2-4-14(15)18(24-19)23-17-10-16(25-26-17)13-6-7-13/h2-5,10,12-13,21H,6-9,11H2,1H3,(H2,22,23,24,25,26)/t12-/m1/s1
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17n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251197
PNG
(CHEMBL4063425)
Show SMILES C[C@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
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26n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251113
PNG
(CHEMBL4077032)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
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28n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251143
PNG
(CHEMBL4068155)
Show SMILES COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCN[C@H](C)C1
Show InChI InChI=1S/C21H25N7O2/c1-12-11-28(8-7-22-12)21(29)20-23-16-6-5-14(30-2)9-15(16)19(25-20)24-18-10-17(26-27-18)13-3-4-13/h5-6,9-10,12-13,22H,3-4,7-8,11H2,1-2H3,(H2,23,24,25,26,27)/t12-/m1/s1
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36n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251105
PNG
(CHEMBL4093999)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCNCC2)n[nH]1
Show InChI InChI=1S/C17H18ClN7O/c1-10-8-14(24-23-10)21-15-12-9-11(18)2-3-13(12)20-16(22-15)17(26)25-6-4-19-5-7-25/h2-3,8-9,19H,4-7H2,1H3,(H2,20,21,22,23,24)
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45n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251198
PNG
(CHEMBL4079783)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-11(2)9-26/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m1/s1
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51n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251148
PNG
(CHEMBL4060217)
Show SMILES CC(C)c1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C19H24ClN7/c1-11(2)16-10-17(26-25-16)23-18-14-9-12(20)3-4-15(14)22-19(24-18)27-7-5-13(21)6-8-27/h3-4,9-11,13H,5-8,21H2,1-2H3,(H2,22,23,24,25,26)
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77n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251104
PNG
(CHEMBL4091048)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C17H20ClN7/c1-10-8-15(24-23-10)21-16-13-9-11(18)2-3-14(13)20-17(22-16)25-6-4-12(19)5-7-25/h2-3,8-9,12H,4-7,19H2,1H3,(H2,20,21,22,23,24)
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99n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251177
PNG
(CHEMBL4090268)
Show SMILES CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H24ClN7O/c1-11-9-29(10-12(2)23-11)21(30)20-24-16-6-5-14(22)7-15(16)19(26-20)25-18-8-17(27-28-18)13-3-4-13/h5-8,11-13,23H,3-4,9-10H2,1-2H3,(H2,24,25,26,27,28)
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114n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251199
PNG
(CHEMBL4062257)
Show SMILES CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7O/c1-10-6-16(26-25-10)23-17-14-7-13(20)4-5-15(14)22-18(24-17)19(28)27-8-11(2)21-12(3)9-27/h4-7,11-12,21H,8-9H2,1-3H3,(H2,22,23,24,25,26)
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119n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251108
PNG
(CHEMBL4069022)
Show SMILES C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-9-11(26)2/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m1/s1
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151n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251107
PNG
(CHEMBL4095362)
Show SMILES C[C@H]1CNCCN1C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-9-11(26)2/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m0/s1
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218n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251149
PNG
(CHEMBL4093805)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)-c2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H22ClN7/c23-15-6-7-18-17(12-15)21(27-22(25-18)30-10-8-16(24)9-11-30)26-20-13-19(28-29-20)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11,24H2,(H2,25,26,27,28,29)
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256n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251179
PNG
(CHEMBL4076708)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7/c20-12-3-4-15-14(9-12)18(23-17-10-16(25-26-17)11-1-2-11)24-19(22-15)27-7-5-13(21)6-8-27/h3-4,9-11,13H,1-2,5-8,21H2,(H2,22,23,24,25,26)
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288n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251112
PNG
(CHEMBL4059904)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-11(2)9-26/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m0/s1
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306n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251162
PNG
(CHEMBL4076937)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)NC2CCNCC2)n[nH]1
Show InChI InChI=1S/C18H20ClN7O/c1-10-8-15(26-25-10)23-16-13-9-11(19)2-3-14(13)22-17(24-16)18(27)21-12-4-6-20-7-5-12/h2-3,8-9,12,20H,4-7H2,1H3,(H,21,27)(H2,22,23,24,25,26)
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325n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251182
PNG
(CHEMBL4069074)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C18H20ClN7O/c1-10-8-15(25-24-10)22-16-13-9-11(19)2-3-14(13)21-17(23-16)18(27)26-6-4-12(20)5-7-26/h2-3,8-9,12H,4-7,20H2,1H3,(H2,21,22,23,24,25)
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354n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251114
PNG
(CHEMBL4076860)
Show SMILES CC[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H24ClN7O/c1-2-14-11-29(8-7-23-14)21(30)20-24-16-6-5-13(22)9-15(16)19(26-20)25-18-10-17(27-28-18)12-3-4-12/h5-6,9-10,12,14,23H,2-4,7-8,11H2,1H3,(H2,24,25,26,27,28)/t14-/m1/s1
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368n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251197
PNG
(CHEMBL4063425)
Show SMILES C[C@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
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383n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251178
PNG
(CHEMBL4081464)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccc(Cl)cc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-16-8-13(21)4-5-14(16)18(25-19)24-17-9-15(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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401n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251140
PNG
(CHEMBL4059493)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(F)ccc2n1
Show InChI InChI=1S/C20H22FN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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503n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251159
PNG
(CHEMBL4073477)
Show SMILES CN(C1CCNCC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7O/c1-11-9-16(26-25-11)23-17-14-10-12(20)3-4-15(14)22-18(24-17)19(28)27(2)13-5-7-21-8-6-13/h3-4,9-10,13,21H,5-8H2,1-2H3,(H2,22,23,24,25,26)
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576n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251181
PNG
(CHEMBL4102034)
Show SMILES NC1CCN(CC1)c1nc(Nc2cn(cn2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7/c20-12-1-4-16-15(9-12)18(24-17-10-27(11-22-17)14-2-3-14)25-19(23-16)26-7-5-13(21)6-8-26/h1,4,9-11,13-14H,2-3,5-8,21H2,(H,23,24,25)
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652n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251183
PNG
(CHEMBL4097984)
Show SMILES CNC1CCN(CC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7O/c1-11-9-16(26-25-11)23-17-14-10-12(20)3-4-15(14)22-18(24-17)19(28)27-7-5-13(21-2)6-8-27/h3-4,9-10,13,21H,5-8H2,1-2H3,(H2,22,23,24,25,26)
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672n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251151
PNG
(CHEMBL4102347)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(C)(N)CC2)n[nH]1
Show InChI InChI=1S/C19H22ClN7O/c1-11-9-15(26-25-11)23-16-13-10-12(20)3-4-14(13)22-17(24-16)18(28)27-7-5-19(2,21)6-8-27/h3-4,9-10H,5-8,21H2,1-2H3,(H2,22,23,24,25,26)
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674n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251113
PNG
(CHEMBL4077032)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
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690n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251103
PNG
(CHEMBL4084054)
Show SMILES Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)c1
Show InChI InChI=1S/C17H20ClN7/c1-24-9-15(20-10-24)22-16-13-8-11(18)2-3-14(13)21-17(23-16)25-6-4-12(19)5-7-25/h2-3,8-10,12H,4-7,19H2,1H3,(H,21,22,23)
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710n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251192
PNG
(CHEMBL4066884)
Show SMILES CN1CCN(CC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-11-9-15(24-23-11)21-16-13-10-12(19)3-4-14(13)20-17(22-16)18(27)26-7-5-25(2)6-8-26/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22,23,24)
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768n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251176
PNG
(CHEMBL4087672)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)NC2CNC2)n[nH]1
Show InChI InChI=1S/C16H16ClN7O/c1-8-4-13(24-23-8)21-14-11-5-9(17)2-3-12(11)20-15(22-14)16(25)19-10-6-18-7-10/h2-5,10,18H,6-7H2,1H3,(H,19,25)(H2,20,21,22,23,24)
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782n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251144
PNG
(CHEMBL4097647)
Show SMILES CC(C)n1cnc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)c1
Show InChI InChI=1S/C19H24ClN7/c1-12(2)27-10-17(22-11-27)24-18-15-9-13(20)3-4-16(15)23-19(25-18)26-7-5-14(21)6-8-26/h3-4,9-12,14H,5-8,21H2,1-2H3,(H,23,24,25)
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884n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251137
PNG
(CHEMBL4101547)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
Show InChI InChI=1S/C20H23N7O/c1-12-11-27(9-8-21-12)20(28)19-22-15-5-3-2-4-14(15)18(24-19)23-17-10-16(25-26-17)13-6-7-13/h2-5,10,12-13,21H,6-9,11H2,1H3,(H2,22,23,24,25,26)/t12-/m1/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251145
PNG
(CHEMBL4071328)
Show SMILES NC1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H22ClN7/c23-15-6-7-19-18(12-15)21(28-22(26-19)29-10-8-16(24)9-11-29)27-20-13-30(14-25-20)17-4-2-1-3-5-17/h1-7,12-14,16H,8-11,24H2,(H,26,27,28)
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1.44E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251196
PNG
(CHEMBL4075754)
Show SMILES CN(C1CCCNC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7O/c1-11-8-16(26-25-11)23-17-14-9-12(20)5-6-15(14)22-18(24-17)19(28)27(2)13-4-3-7-21-10-13/h5-6,8-9,13,21H,3-4,7,10H2,1-2H3,(H2,22,23,24,25,26)
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1.63E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251104
PNG
(CHEMBL4091048)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C17H20ClN7/c1-10-8-15(24-23-10)21-16-13-9-11(18)2-3-14(13)20-17(22-16)25-6-4-12(19)5-7-25/h2-3,8-9,12H,4-7,19H2,1H3,(H2,20,21,22,23,24)
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1.89E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251111
PNG
(CHEMBL4090101)
Show SMILES C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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2.08E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251142
PNG
(CHEMBL4089338)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C20H22BrN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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2.09E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251153
PNG
(CHEMBL4093649)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCOCC2)n[nH]1
Show InChI InChI=1S/C17H17ClN6O2/c1-10-8-14(23-22-10)20-15-12-9-11(18)2-3-13(12)19-16(21-15)17(25)24-4-6-26-7-5-24/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22,23)
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2.17E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251154
PNG
(CHEMBL4095155)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCNC(=O)C2)n[nH]1
Show InChI InChI=1S/C17H16ClN7O2/c1-9-6-13(24-23-9)21-15-11-7-10(18)2-3-12(11)20-16(22-15)17(27)25-5-4-19-14(26)8-25/h2-3,6-7H,4-5,8H2,1H3,(H,19,26)(H2,20,21,22,23,24)
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2.41E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251106
PNG
(CHEMBL4064068)
Show SMILES Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCNCC1
Show InChI InChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)17(23-16-10-15(25-26-16)11-1-2-11)24-18(22-14)19(28)27-7-5-21-6-8-27/h3-4,9-11,21H,1-2,5-8H2,(H2,22,23,24,25,26)
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2.75E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251098
PNG
(CHEMBL4097816)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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3.11E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251150
PNG
(CHEMBL4096333)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(O)CC2)n[nH]1
Show InChI InChI=1S/C18H19ClN6O2/c1-10-8-15(24-23-10)21-16-13-9-11(19)2-3-14(13)20-17(22-16)18(27)25-6-4-12(26)5-7-25/h2-3,8-9,12,26H,4-7H2,1H3,(H2,20,21,22,23,24)
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3.82E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251152
PNG
(CHEMBL4078833)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(C)(O)CC2)n[nH]1
Show InChI InChI=1S/C19H21ClN6O2/c1-11-9-15(25-24-11)22-16-13-10-12(20)3-4-14(13)21-17(23-16)18(27)26-7-5-19(2,28)6-8-26/h3-4,9-10,28H,5-8H2,1-2H3,(H2,21,22,23,24,25)
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3.89E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251112
PNG
(CHEMBL4059904)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-11(2)9-26/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m0/s1
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>4.52E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251107
PNG
(CHEMBL4095362)
Show SMILES C[C@H]1CNCCN1C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-9-11(26)2/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m0/s1
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>4.52E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251177
PNG
(CHEMBL4090268)
Show SMILES CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H24ClN7O/c1-11-9-29(10-12(2)23-11)21(30)20-24-16-6-5-14(22)7-15(16)19(26-20)25-18-8-17(27-28-18)13-3-4-13/h5-8,11-13,23H,3-4,9-10H2,1-2H3,(H2,24,25,26,27,28)
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>4.52E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251143
PNG
(CHEMBL4068155)
Show SMILES COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCN[C@H](C)C1
Show InChI InChI=1S/C21H25N7O2/c1-12-11-28(8-7-22-12)21(29)20-23-16-6-5-14(30-2)9-15(16)19(25-20)24-18-10-17(26-27-18)13-3-4-13/h5-6,9-10,12-13,22H,3-4,7-8,11H2,1-2H3,(H2,23,24,25,26,27)/t12-/m1/s1
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>4.52E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251108
PNG
(CHEMBL4069022)
Show SMILES C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-9-11(26)2/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m1/s1
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>4.52E+3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251105
PNG
(CHEMBL4093999)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCNCC2)n[nH]1
Show InChI InChI=1S/C17H18ClN7O/c1-10-8-14(24-23-10)21-15-12-9-11(18)2-3-13(12)20-16(22-15)17(26)25-6-4-19-5-7-25/h2-3,8-9,19H,4-7H2,1H3,(H2,20,21,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251198
PNG
(CHEMBL4079783)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-11(2)9-26/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251098
PNG
(CHEMBL4097816)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PAK4 (295 to 591 residues) expressed in Baculovirus expression system by Z'-Lyte assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 5


(Homo sapiens (Human))
BDBM50251098
PNG
(CHEMBL4097816)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged PAK5 (295 to 591 residues) expressed in Baculovirus expression system by Z'-Lyte assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50237832
PNG
(CHEMBL1198335)
Show SMILES COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
Show InChI InChI=1S/C20H22N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,21,22,23,24)
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n/an/a 1.49E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) using histone H3 as substrate


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50251098
PNG
(CHEMBL4097816)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50237832
PNG
(CHEMBL1198335)
Show SMILES COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
Show InChI InChI=1S/C20H22N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,21,22,23,24)
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n/an/a 4.84E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251106
PNG
(CHEMBL4064068)
Show SMILES Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCNCC1
Show InChI InChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)17(23-16-10-15(25-26-16)11-1-2-11)24-18(22-14)19(28)27-7-5-21-6-8-27/h3-4,9-11,21H,1-2,5-8H2,(H2,22,23,24,25,26)
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n/an/an/a 16n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251105
PNG
(CHEMBL4093999)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCNCC2)n[nH]1
Show InChI InChI=1S/C17H18ClN7O/c1-10-8-14(24-23-10)21-15-12-9-11(18)2-3-13(12)20-16(22-15)17(26)25-6-4-19-5-7-25/h2-3,8-9,19H,4-7H2,1H3,(H2,20,21,22,23,24)
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n/an/an/a 66n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251103
PNG
(CHEMBL4084054)
Show SMILES Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)c1
Show InChI InChI=1S/C17H20ClN7/c1-24-9-15(20-10-24)22-16-13-8-11(18)2-3-14(13)21-17(23-16)25-6-4-12(19)5-7-25/h2-3,8-10,12H,4-7,19H2,1H3,(H,21,22,23)
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n/an/an/a 156n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251153
PNG
(CHEMBL4093649)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCOCC2)n[nH]1
Show InChI InChI=1S/C17H17ClN6O2/c1-10-8-14(23-22-10)20-15-12-9-11(18)2-3-13(12)19-16(21-15)17(25)24-4-6-26-7-5-24/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22,23)
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n/an/an/a 1.94E+3n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251179
PNG
(CHEMBL4076708)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN7/c20-12-3-4-15-14(9-12)18(23-17-10-16(25-26-17)11-1-2-11)24-19(22-15)27-7-5-13(21)6-8-27/h3-4,9-11,13H,1-2,5-8,21H2,(H2,22,23,24,25,26)
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n/an/an/a 6n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251104
PNG
(CHEMBL4091048)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C17H20ClN7/c1-10-8-15(24-23-10)21-16-13-9-11(18)2-3-14(13)20-17(22-16)25-6-4-12(19)5-7-25/h2-3,8-9,12H,4-7,19H2,1H3,(H2,20,21,22,23,24)
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n/an/an/a 43n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%