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PubMed code 22554206

Compile data set for download or QSAR
Found 33 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))
BDBM50389112
PNG
(CHEMBL2064556)
Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(cc5)-c5ccccn5)cc4[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C37H34N8O/c1-45(2)23-34(25-8-4-3-5-9-25)42-37(46)27-15-17-31-29(20-27)35(44-43-31)36-40-32-18-16-28(21-33(32)41-36)39-22-24-11-13-26(14-12-24)30-10-6-7-19-38-30/h3-21,34,39H,22-23H2,1-2H3,(H,40,41)(H,42,46)(H,43,44)/t34-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50389111
PNG
(CHEMBL2064555)
Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H24N6O/c1-31(2)15-22(16-8-4-3-5-9-16)28-25(32)17-12-13-19-18(14-17)23(30-29-19)24-26-20-10-6-7-11-21(20)27-24/h3-14,22H,15H2,1-2H3,(H,26,27)(H,28,32)(H,29,30)/t22-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389111
PNG
(CHEMBL2064555)
Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H24N6O/c1-31(2)15-22(16-8-4-3-5-9-16)28-25(32)17-12-13-19-18(14-17)23(30-29-19)24-26-20-10-6-7-11-21(20)27-24/h3-14,22H,15H2,1-2H3,(H,26,27)(H,28,32)(H,29,30)/t22-/m1/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389116
PNG
(CHEMBL2064561)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-25(2)21-19(22(28-27-21)26-23(31)18-13-9-6-10-14-18)15-30(25)24(32)33-20(16-29(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H2,26,27,28,31)/t20-/m1/s1
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389117
PNG
(CHEMBL2064562)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H28FN5O3/c1-25(2)21-19(22(29-28-21)27-23(32)17-10-12-18(26)13-11-17)14-31(25)24(33)34-20(15-30(3)4)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3,(H2,27,28,29,32)/t20-/m1/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389113
PNG
(CHEMBL2064558)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-25(2)21-19(22(29-28-21)27-23(32)18-13-9-6-10-14-18)15-31(25)24(33)26-20(16-30(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H,26,33)(H2,27,28,29,32)/t20-/m1/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389120
PNG
(CHEMBL2064565)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1
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31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389109
PNG
(CHEMBL2064557)
Show SMILES CN1CCN([C@@H](Cc2ccccc2)C1)C(=O)N1Cc2c(NC(=O)c3cccc(Oc4ccccc4)c3)[nH]nc2C1(C)C |r|
Show InChI InChI=1S/C33H36N6O3/c1-33(2)29-28(22-39(33)32(41)38-18-17-37(3)21-25(38)19-23-11-6-4-7-12-23)30(36-35-29)34-31(40)24-13-10-16-27(20-24)42-26-14-8-5-9-15-26/h4-16,20,25H,17-19,21-22H2,1-3H3,(H2,34,35,36,40)/t25-/m0/s1
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64n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389119
PNG
(CHEMBL2064564)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H27F2N5O3/c1-25(2)21-18(22(30-29-21)28-23(33)17-11-10-16(26)12-19(17)27)13-32(25)24(34)35-20(14-31(3)4)15-8-6-5-7-9-15/h5-12,20H,13-14H2,1-4H3,(H2,28,29,30,33)/t20-/m1/s1
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68n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389118
PNG
(CHEMBL2064563)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29FN6O2/c1-25(2)21-18(22(30-29-21)28-23(33)17-12-8-9-13-19(17)26)14-32(25)24(34)27-20(15-31(3)4)16-10-6-5-7-11-16/h5-13,20H,14-15H2,1-4H3,(H,27,34)(H2,28,29,30,33)/t20-/m1/s1
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98n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389115
PNG
(CHEMBL2064560)
Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C
Show InChI InChI=1S/C26H30N6O2/c1-26(2)22-20(23(29-28-22)27-24(33)19-12-8-5-9-13-19)16-32(26)25(34)31-15-14-30(3)17-21(31)18-10-6-4-7-11-18/h4-13,21H,14-17H2,1-3H3,(H2,27,28,29,33)
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207n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389114
PNG
(CHEMBL2064559)
Show SMILES CN(C)C[C@@H](N(C)C(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C26H32N6O2/c1-26(2)22-20(23(29-28-22)27-24(33)19-14-10-7-11-15-19)16-32(26)25(34)31(5)21(17-30(3)4)18-12-8-6-9-13-18/h6-15,21H,16-17H2,1-5H3,(H2,27,28,29,33)/t21-/m1/s1
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512n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50389117
PNG
(CHEMBL2064562)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H28FN5O3/c1-25(2)21-19(22(29-28-21)27-23(32)17-10-12-18(26)13-11-17)14-31(25)24(33)34-20(15-30(3)4)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3,(H2,27,28,29,32)/t20-/m1/s1
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1.16E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50389113
PNG
(CHEMBL2064558)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-25(2)21-19(22(29-28-21)27-23(32)18-13-9-6-10-14-18)15-31(25)24(33)26-20(16-30(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H,26,33)(H2,27,28,29,32)/t20-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50389116
PNG
(CHEMBL2064561)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-25(2)21-19(22(28-27-21)26-23(31)18-13-9-6-10-14-18)15-30(25)24(32)33-20(16-29(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H2,26,27,28,31)/t20-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK1


(Homo sapiens (Human))
BDBM50389121
PNG
(CHEMBL2064628)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O3/c1-22(2,3)20(29)24-19-16-13-28(23(4,5)18(16)25-26-19)21(30)31-17(14-27(6)7)15-11-9-8-10-12-15/h8-12,17H,13-14H2,1-7H3,(H2,24,25,26,29)/t17-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MARK1


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50389121
PNG
(CHEMBL2064628)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O3/c1-22(2,3)20(29)24-19-16-13-28(23(4,5)18(16)25-26-19)21(30)31-17(14-27(6)7)15-11-9-8-10-12-15/h8-12,17H,13-14H2,1-7H3,(H2,24,25,26,29)/t17-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Erk2


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389121
PNG
(CHEMBL2064628)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O3/c1-22(2,3)20(29)24-19-16-13-28(23(4,5)18(16)25-26-19)21(30)31-17(14-27(6)7)15-11-9-8-10-12-15/h8-12,17H,13-14H2,1-7H3,(H2,24,25,26,29)/t17-/m1/s1
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n/an/a 227n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50389121
PNG
(CHEMBL2064628)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O3/c1-22(2,3)20(29)24-19-16-13-28(23(4,5)18(16)25-26-19)21(30)31-17(14-27(6)7)15-11-9-8-10-12-15/h8-12,17H,13-14H2,1-7H3,(H2,24,25,26,29)/t17-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389115
PNG
(CHEMBL2064560)
Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C
Show InChI InChI=1S/C26H30N6O2/c1-26(2)22-20(23(29-28-22)27-24(33)19-12-8-5-9-13-19)16-32(26)25(34)31-15-14-30(3)17-21(31)18-10-6-4-7-11-18/h4-13,21H,14-17H2,1-3H3,(H2,27,28,29,33)
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n/an/an/an/a 21n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389116
PNG
(CHEMBL2064561)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-25(2)21-19(22(28-27-21)26-23(31)18-13-9-6-10-14-18)15-30(25)24(32)33-20(16-29(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H2,26,27,28,31)/t20-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389118
PNG
(CHEMBL2064563)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29FN6O2/c1-25(2)21-18(22(30-29-21)28-23(33)17-12-8-9-13-19(17)26)14-32(25)24(34)27-20(15-31(3)4)16-10-6-5-7-11-16/h5-13,20H,14-15H2,1-4H3,(H,27,34)(H2,28,29,30,33)/t20-/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389109
PNG
(CHEMBL2064557)
Show SMILES CN1CCN([C@@H](Cc2ccccc2)C1)C(=O)N1Cc2c(NC(=O)c3cccc(Oc4ccccc4)c3)[nH]nc2C1(C)C |r|
Show InChI InChI=1S/C33H36N6O3/c1-33(2)29-28(22-39(33)32(41)38-18-17-37(3)21-25(38)19-23-11-6-4-7-12-23)30(36-35-29)34-31(40)24-13-10-16-27(20-24)42-26-14-8-5-9-15-26/h4-16,20,25H,17-19,21-22H2,1-3H3,(H2,34,35,36,40)/t25-/m0/s1
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n/an/an/an/a 810n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389111
PNG
(CHEMBL2064555)
Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H24N6O/c1-31(2)15-22(16-8-4-3-5-9-16)28-25(32)17-12-13-19-18(14-17)23(30-29-19)24-26-20-10-6-7-11-21(20)27-24/h3-14,22H,15H2,1-2H3,(H,26,27)(H,28,32)(H,29,30)/t22-/m1/s1
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n/an/an/an/a 12.6n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389121
PNG
(CHEMBL2064628)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O3/c1-22(2,3)20(29)24-19-16-13-28(23(4,5)18(16)25-26-19)21(30)31-17(14-27(6)7)15-11-9-8-10-12-15/h8-12,17H,13-14H2,1-7H3,(H2,24,25,26,29)/t17-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389123
PNG
(CHEMBL2064631)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H30F3N5O3/c1-21(2,23(24,25)26)19(32)27-18-15-12-31(22(3,4)17(15)28-29-18)20(33)34-16(13-30(5)6)14-10-8-7-9-11-14/h7-11,16H,12-13H2,1-6H3,(H2,27,28,29,32)/t16-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389108
PNG
(CHEMBL2064632)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3(CC3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H28F3N5O3/c1-21(2)17-15(18(29-28-17)27-19(32)22(10-11-22)23(24,25)26)12-31(21)20(33)34-16(13-30(3)4)14-8-6-5-7-9-14/h5-9,16H,10-13H2,1-4H3,(H2,27,28,29,32)/t16-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389110
PNG
(CHEMBL2064630)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3CCCCO3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H33N5O4/c1-24(2)20-17(21(27-26-20)25-22(30)18-12-8-9-13-32-18)14-29(24)23(31)33-19(15-28(3)4)16-10-6-5-7-11-16/h5-7,10-11,18-19H,8-9,12-15H2,1-4H3,(H2,25,26,27,30)/t18?,19-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389120
PNG
(CHEMBL2064565)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389119
PNG
(CHEMBL2064564)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H27F2N5O3/c1-25(2)21-18(22(30-29-21)28-23(33)17-11-10-16(26)12-19(17)27)13-32(25)24(34)35-20(14-31(3)4)15-8-6-5-7-9-15/h5-12,20H,13-14H2,1-4H3,(H2,28,29,30,33)/t20-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389113
PNG
(CHEMBL2064558)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-25(2)21-19(22(29-28-21)27-23(32)18-13-9-6-10-14-18)15-31(25)24(33)26-20(16-30(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H,26,33)(H2,27,28,29,32)/t20-/m1/s1
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n/an/an/an/a 32n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389117
PNG
(CHEMBL2064562)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H28FN5O3/c1-25(2)21-19(22(29-28-21)27-23(32)17-10-12-18(26)13-11-17)14-31(25)24(33)34-20(15-30(3)4)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3,(H2,27,28,29,32)/t20-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50389122
PNG
(CHEMBL2064629)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3CCCO3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H31N5O4/c1-23(2)19-16(20(26-25-19)24-21(29)17-11-8-12-31-17)13-28(23)22(30)32-18(14-27(3)4)15-9-6-5-7-10-15/h5-7,9-10,17-18H,8,11-14H2,1-4H3,(H2,24,25,26,29)/t17?,18-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4-mediated GEF-H1 phosphorylation at Ser810 by cell based assay


J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%