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PubMed code 26030457

Compile data set for download or QSAR
Found 64 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))
BDBM50097131
PNG
(CHEMBL3580667)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1 |r|
Show InChI InChI=1/C17H19N7S/c18-14-9-6-24(7-10(9)14)17-19-11-3-4-25-15(11)16(21-17)20-13-5-12(22-23-13)8-1-2-8/h3-5,8-10,14H,1-2,6-7,18H2,(H2,19,20,21,22,23)/t9-,10+,14+
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2n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PAK4


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097144
PNG
(CHEMBL3580963)
Show SMILES N[C@H]1CC[C@@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,1.0,(-1.34,-9.7,;-1.34,-8.47,;-2.68,-7.7,;-2.68,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-.01,-6.16,;-.01,-7.7,)|
Show InChI InChI=1/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13+
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4n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50096231
PNG
(CHEMBL3580975)
Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19?,21-,22-,23+,25-/m0/s1
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4n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097135
PNG
(CHEMBL3580974)
Show SMILES Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
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5n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097128
PNG
(CHEMBL3580976)
Show SMILES CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C20H21ClN8/c1-2-29(10-13-5-6-14-19(18(13)21)24-11-23-14)20-22-8-7-16(26-20)25-17-9-15(27-28-17)12-3-4-12/h5-9,11-12H,2-4,10H2,1H3,(H,23,24)(H2,22,25,26,27,28)
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5n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50097128
PNG
(CHEMBL3580976)
Show SMILES CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C20H21ClN8/c1-2-29(10-13-5-6-14-19(18(13)21)24-11-23-14)20-22-8-7-16(26-20)25-17-9-15(27-28-17)12-3-4-12/h5-9,11-12H,2-4,10H2,1H3,(H,23,24)(H2,22,25,26,27,28)
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5.30n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097127
PNG
(CHEMBL3580949)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1
Show InChI InChI=1S/C17H21N7S/c18-11-3-6-24(7-4-11)17-19-12-5-8-25-15(12)16(21-17)20-14-9-13(22-23-14)10-1-2-10/h5,8-11H,1-4,6-7,18H2,(H2,19,20,21,22,23)
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12n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097134
PNG
(CHEMBL3580972)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C19H20N8/c1-11(13-4-5-14-16(8-13)22-10-21-14)23-19-20-7-6-17(25-19)24-18-9-15(26-27-18)12-2-3-12/h4-12H,2-3H2,1H3,(H,21,22)(H3,20,23,24,25,26,27)/t11-/s2
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12n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM101618
PNG
(US8530652, 114)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1
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



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human recombinant PAK4 (300 to 591 amino acids) using peptide-7 substrate by pyruvate kinase and lactate dehydro...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097121
PNG
(CHEMBL3580954)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CCC2)c2sccc2n1
Show InChI InChI=1S/C18H23N7S/c19-12-4-7-25(8-5-12)18-20-13-6-9-26-16(13)17(22-18)21-15-10-14(23-24-15)11-2-1-3-11/h6,9-12H,1-5,7-8,19H2,(H2,20,21,22,23,24)
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18n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097144
PNG
(CHEMBL3580963)
Show SMILES N[C@H]1CC[C@@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,1.0,(-1.34,-9.7,;-1.34,-8.47,;-2.68,-7.7,;-2.68,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-.01,-6.16,;-.01,-7.7,)|
Show InChI InChI=1/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13+
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21n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097127
PNG
(CHEMBL3580949)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1
Show InChI InChI=1S/C17H21N7S/c18-11-3-6-24(7-4-11)17-19-12-5-8-25-15(12)16(21-17)20-14-9-13(22-23-14)10-1-2-10/h5,8-11H,1-4,6-7,18H2,(H2,19,20,21,22,23)
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22n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50097132
PNG
(CHEMBL3580962)
Show SMILES N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,wD:1.0,(-1.34,-9.7,;-1.34,-8.47,;-.01,-7.7,;-.01,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-2.68,-6.16,;-2.68,-7.7,)|
Show InChI InChI=1/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13-
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26n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097140
PNG
(CHEMBL3580967)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H19N7/c1-4-15-14(5-7-20-15)9-12(1)11-22-19-21-8-6-17(24-19)23-18-10-16(25-26-18)13-2-3-13/h1,4-10,13,20H,2-3,11H2,(H3,21,22,23,24,25,26)
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27n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097133
PNG
(CHEMBL3580968)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1/C20H21N7/c1-12(14-4-5-16-15(10-14)6-8-21-16)23-20-22-9-7-18(25-20)24-19-11-17(26-27-19)13-2-3-13/h4-13,21H,2-3H2,1H3,(H3,22,23,24,25,26,27)/t12-/s2
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31n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097122
PNG
(CHEMBL3580953)
Show SMILES CC(C)c1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C17H23N7S/c1-10(2)13-9-14(23-22-13)20-16-15-12(5-8-25-15)19-17(21-16)24-6-3-11(18)4-7-24/h5,8-11H,3-4,6-7,18H2,1-2H3,(H2,19,20,21,22,23)
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33n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097124
PNG
(CHEMBL3580951)
Show SMILES CCc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C16H21N7S/c1-2-11-9-13(22-21-11)19-15-14-12(5-8-24-14)18-16(20-15)23-6-3-10(17)4-7-23/h5,8-10H,2-4,6-7,17H2,1H3,(H2,18,19,20,21,22)
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33n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097132
PNG
(CHEMBL3580962)
Show SMILES N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,wD:1.0,(-1.34,-9.7,;-1.34,-8.47,;-.01,-7.7,;-.01,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-2.68,-6.16,;-2.68,-7.7,)|
Show InChI InChI=1/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13-
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38n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM101618
PNG
(US8530652, 114)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1
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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39n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) using Syntide2 peptide substrate by pyruvate kinase and lactate dehydrogenase coupled assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097133
PNG
(CHEMBL3580968)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1/C20H21N7/c1-12(14-4-5-16-15(10-14)6-8-21-16)23-20-22-9-7-18(25-20)24-19-11-17(26-27-19)13-2-3-13/h4-13,21H,2-3H2,1H3,(H3,22,23,24,25,26,27)/t12-/s2
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42n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097119
PNG
(CHEMBL3580956)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2occc2n1
Show InChI InChI=1S/C17H21N7O/c18-11-3-6-24(7-4-11)17-19-12-5-8-25-15(12)16(21-17)20-14-9-13(22-23-14)10-1-2-10/h5,8-11H,1-4,6-7,18H2,(H2,19,20,21,22,23)
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45n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097123
PNG
(CHEMBL3580952)
Show SMILES CCCc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C17H23N7S/c1-2-3-12-10-14(23-22-12)20-16-15-13(6-9-25-15)19-17(21-16)24-7-4-11(18)5-8-24/h6,9-11H,2-5,7-8,18H2,1H3,(H2,19,20,21,22,23)
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48n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097130
PNG
(CHEMBL3580948)
Show SMILES CC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
Show InChI InChI=1S/C20H24N6/c1-13-8-10-26(11-9-13)20-21-16-5-3-2-4-15(16)19(23-20)22-18-12-17(24-25-18)14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H2,21,22,23,24,25)
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49n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PAK4


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097131
PNG
(CHEMBL3580667)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1 |r|
Show InChI InChI=1/C17H19N7S/c18-14-9-6-24(7-10(9)14)17-19-11-3-4-25-15(11)16(21-17)20-13-5-12(22-23-13)8-1-2-8/h3-5,8-10,14H,1-2,6-7,18H2,(H2,19,20,21,22,23)/t9-,10+,14+
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50n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097146
PNG
(CHEMBL3580960)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)C1CCNCC1
Show InChI InChI=1S/C16H23N7/c1-2-12(1)13-9-15(23-22-13)20-14-5-8-18-16(21-14)19-10-11-3-6-17-7-4-11/h5,8-9,11-12,17H,1-4,6-7,10H2,(H3,18,19,20,21,22,23)
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80n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097145
PNG
(CHEMBL3580961)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nccc(Nc2cc([nH]n2)C2CC2)n1 |r,wU:1.0,wD:4.7,(-5.08,-5.99,;-4.01,-5.38,;-4.01,-3.84,;-2.67,-3.07,;-1.34,-3.85,;-1.34,-5.39,;-2.68,-6.15,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,)|
Show InChI InChI=1/C16H23N7/c17-11-3-5-12(6-4-11)19-16-18-8-7-14(21-16)20-15-9-13(22-23-15)10-1-2-10/h7-12H,1-6,17H2,(H3,18,19,20,21,22,23)/t11-,12-
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100n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097130
PNG
(CHEMBL3580948)
Show SMILES CC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
Show InChI InChI=1S/C20H24N6/c1-13-8-10-26(11-9-13)20-21-16-5-3-2-4-15(16)19(23-20)22-18-12-17(24-25-18)14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H2,21,22,23,24,25)
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100n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097134
PNG
(CHEMBL3580972)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C19H20N8/c1-11(13-4-5-14-16(8-13)22-10-21-14)23-19-20-7-6-17(25-19)24-18-9-15(26-27-18)12-2-3-12/h4-12H,2-3H2,1H3,(H,21,22)(H3,20,23,24,25,26,27)/t11-/s2
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106n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097139
PNG
(CHEMBL3580969)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C18H18N8/c1-4-13-15(22-10-21-13)7-11(1)9-20-18-19-6-5-16(24-18)23-17-8-14(25-26-17)12-2-3-12/h1,4-8,10,12H,2-3,9H2,(H,21,22)(H3,19,20,23,24,25,26)
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117n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097119
PNG
(CHEMBL3580956)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2occc2n1
Show InChI InChI=1S/C17H21N7O/c18-11-3-6-24(7-4-11)17-19-12-5-8-25-15(12)16(21-17)20-14-9-13(22-23-14)10-1-2-10/h5,8-11H,1-4,6-7,18H2,(H2,19,20,21,22,23)
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119n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097143
PNG
(CHEMBL3580964)
Show SMILES Nc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
Show InChI InChI=1S/C16H18N8/c17-13-4-1-10(8-19-13)9-20-16-18-6-5-14(22-16)21-15-7-12(23-24-15)11-2-3-11/h1,4-8,11H,2-3,9H2,(H2,17,19)(H3,18,20,21,22,23,24)
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138n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097140
PNG
(CHEMBL3580967)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H19N7/c1-4-15-14(5-7-20-15)9-12(1)11-22-19-21-8-6-17(24-19)23-18-10-16(25-26-18)13-2-3-13/h1,4-10,13,20H,2-3,11H2,(H3,21,22,23,24,25,26)
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144n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097145
PNG
(CHEMBL3580961)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nccc(Nc2cc([nH]n2)C2CC2)n1 |r,wU:1.0,wD:4.7,(-5.08,-5.99,;-4.01,-5.38,;-4.01,-3.84,;-2.67,-3.07,;-1.34,-3.85,;-1.34,-5.39,;-2.68,-6.15,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,)|
Show InChI InChI=1/C16H23N7/c17-11-3-5-12(6-4-11)19-16-18-8-7-14(21-16)20-15-9-13(22-23-15)10-1-2-10/h7-12H,1-6,17H2,(H3,18,19,20,21,22,23)/t11-,12-
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157n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097136
PNG
(CHEMBL3580973)
Show SMILES Fc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17FN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
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179n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097126
PNG
(CHEMBL3580950)
Show SMILES Cc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C15H19N7S/c1-9-8-12(21-20-9)18-14-13-11(4-7-23-13)17-15(19-14)22-5-2-10(16)3-6-22/h4,7-8,10H,2-3,5-6,16H2,1H3,(H2,17,18,19,20,21)
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179n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097146
PNG
(CHEMBL3580960)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)C1CCNCC1
Show InChI InChI=1S/C16H23N7/c1-2-12(1)13-9-15(23-22-13)20-14-5-8-18-16(21-14)19-10-11-3-6-17-7-4-11/h5,8-9,11-12,17H,1-4,6-7,10H2,(H3,18,19,20,21,22,23)
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245n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50096231
PNG
(CHEMBL3580975)
Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19?,21-,22-,23+,25-/m0/s1
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272n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097149
PNG
(CHEMBL3580957)
Show SMILES NC1CCN(CC1)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C15H21N7/c16-11-4-7-22(8-5-11)15-17-6-3-13(19-15)18-14-9-12(20-21-14)10-1-2-10/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20,21)
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283n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097142
PNG
(CHEMBL3580965)
Show SMILES CNc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
Show InChI InChI=1S/C17H20N8/c1-18-14-5-2-11(9-20-14)10-21-17-19-7-6-15(23-17)22-16-8-13(24-25-16)12-3-4-12/h2,5-9,12H,3-4,10H2,1H3,(H,18,20)(H3,19,21,22,23,24,25)
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346n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097149
PNG
(CHEMBL3580957)
Show SMILES NC1CCN(CC1)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C15H21N7/c16-11-4-7-22(8-5-11)15-17-6-3-13(19-15)18-14-9-12(20-21-14)10-1-2-10/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20,21)
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454n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097135
PNG
(CHEMBL3580974)
Show SMILES Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
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455n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097128
PNG
(CHEMBL3580976)
Show SMILES CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C20H21ClN8/c1-2-29(10-13-5-6-14-19(18(13)21)24-11-23-14)20-22-8-7-16(26-20)25-17-9-15(27-28-17)12-3-4-12/h5-9,11-12H,2-4,10H2,1H3,(H,23,24)(H2,22,25,26,27,28)
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547n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097148
PNG
(CHEMBL3580958)
Show SMILES NC1CCN(CC1)c1cccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C16H22N6/c17-12-6-8-22(9-7-12)16-3-1-2-14(19-16)18-15-10-13(20-21-15)11-4-5-11/h1-3,10-12H,4-9,17H2,(H2,18,19,20,21)
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561n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097143
PNG
(CHEMBL3580964)
Show SMILES Nc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
Show InChI InChI=1S/C16H18N8/c17-13-4-1-10(8-19-13)9-20-16-18-6-5-14(22-16)21-15-7-12(23-24-15)11-2-3-11/h1,4-8,11H,2-3,9H2,(H2,17,19)(H3,18,20,21,22,23,24)
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563n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097137
PNG
(CHEMBL3580971)
Show SMILES Cn1cnc2ccc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)cc12
Show InChI InChI=1S/C19H20N8/c1-27-11-22-14-5-2-12(8-16(14)27)10-21-19-20-7-6-17(24-19)23-18-9-15(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)
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584n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097138
PNG
(CHEMBL3580970)
Show SMILES Cn1cnc2cc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)ccc12
Show InChI InChI=1S/C19H20N8/c1-27-11-22-15-8-12(2-5-16(15)27)10-21-19-20-7-6-17(24-19)23-18-9-14(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)
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607n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097142
PNG
(CHEMBL3580965)
Show SMILES CNc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
Show InChI InChI=1S/C17H20N8/c1-18-14-5-2-11(9-20-14)10-21-17-19-7-6-15(23-17)22-16-8-13(24-25-16)12-3-4-12/h2,5-9,12H,3-4,10H2,1H3,(H,18,20)(H3,19,21,22,23,24,25)
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610n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097148
PNG
(CHEMBL3580958)
Show SMILES NC1CCN(CC1)c1cccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C16H22N6/c17-12-6-8-22(9-7-12)16-3-1-2-14(19-16)18-15-10-13(20-21-15)11-4-5-11/h1-3,10-12H,4-9,17H2,(H2,18,19,20,21)
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612n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097120
PNG
(CHEMBL3580955)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)-c2ccccc2)c2sccc2n1
Show InChI InChI=1S/C20H21N7S/c21-14-6-9-27(10-7-14)20-22-15-8-11-28-18(15)19(24-20)23-17-12-16(25-26-17)13-4-2-1-3-5-13/h1-5,8,11-12,14H,6-7,9-10,21H2,(H2,22,23,24,25,26)
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660n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097141
PNG
(CHEMBL3580966)
Show SMILES CN(C)c1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
Show InChI InChI=1S/C18H22N8/c1-26(2)17-6-3-12(10-20-17)11-21-18-19-8-7-15(23-18)22-16-9-14(24-25-16)13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H3,19,21,22,23,24,25)
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907n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097139
PNG
(CHEMBL3580969)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C18H18N8/c1-4-13-15(22-10-21-13)7-11(1)9-20-18-19-6-5-16(24-18)23-17-8-14(25-26-17)12-2-3-12/h1,4-8,10,12H,2-3,9H2,(H,21,22)(H3,19,20,23,24,25,26)
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961n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097136
PNG
(CHEMBL3580973)
Show SMILES Fc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17FN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
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1.11E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097141
PNG
(CHEMBL3580966)
Show SMILES CN(C)c1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
Show InChI InChI=1S/C18H22N8/c1-26(2)17-6-3-12(10-20-17)11-21-18-19-8-7-15(23-18)22-16-9-14(24-25-16)13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H3,19,21,22,23,24,25)
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1.47E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097138
PNG
(CHEMBL3580970)
Show SMILES Cn1cnc2cc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)ccc12
Show InChI InChI=1S/C19H20N8/c1-27-11-22-15-8-12(2-5-16(15)27)10-21-19-20-7-6-17(24-19)23-18-9-14(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)
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1.66E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097147
PNG
(CHEMBL3580959)
Show SMILES NC1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CC2)ccn1
Show InChI InChI=1S/C16H22N6/c17-12-4-7-22(8-5-12)16-9-13(3-6-18-16)19-15-10-14(20-21-15)11-1-2-11/h3,6,9-12H,1-2,4-5,7-8,17H2,(H2,18,19,20,21)
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1.82E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097150
PNG
(CHEMBL3580977)
Show SMILES C[C@@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1/C20H21N7/c1-12(14-4-5-16-15(10-14)6-8-21-16)23-20-22-9-7-18(25-20)24-19-11-17(26-27-19)13-2-3-13/h4-13,21H,2-3H2,1H3,(H3,22,23,24,25,26,27)/t12-/s2
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1.90E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097137
PNG
(CHEMBL3580971)
Show SMILES Cn1cnc2ccc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)cc12
Show InChI InChI=1S/C19H20N8/c1-27-11-22-14-5-2-12(8-16(14)27)10-21-19-20-7-6-17(24-19)23-18-9-15(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)
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1.90E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097147
PNG
(CHEMBL3580959)
Show SMILES NC1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CC2)ccn1
Show InChI InChI=1S/C16H22N6/c17-12-4-7-22(8-5-12)16-9-13(3-6-18-16)19-15-10-14(20-21-15)11-1-2-11/h3,6,9-12H,1-2,4-5,7-8,17H2,(H2,18,19,20,21)
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4.39E+3n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097128
PNG
(CHEMBL3580976)
Show SMILES CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C20H21ClN8/c1-2-29(10-13-5-6-14-19(18(13)21)24-11-23-14)20-22-8-7-16(26-20)25-17-9-15(27-28-17)12-3-4-12/h5-9,11-12H,2-4,10H2,1H3,(H,23,24)(H2,22,25,26,27,28)
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n/an/a 85n/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50096231
PNG
(CHEMBL3580975)
Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19?,21-,22-,23+,25-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097133
PNG
(CHEMBL3580968)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1/C20H21N7/c1-12(14-4-5-16-15(10-14)6-8-21-16)23-20-22-9-7-18(25-20)24-19-11-17(26-27-19)13-2-3-13/h4-13,21H,2-3H2,1H3,(H3,22,23,24,25,26,27)/t12-/s2
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Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097134
PNG
(CHEMBL3580972)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C19H20N8/c1-11(13-4-5-14-16(8-13)22-10-21-14)23-19-20-7-6-17(25-19)24-18-9-15(26-27-18)12-2-3-12/h4-12H,2-3H2,1H3,(H,21,22)(H3,20,23,24,25,26,27)/t11-/s2
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Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097135
PNG
(CHEMBL3580974)
Show SMILES Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
PDB

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n/an/a 362n/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097132
PNG
(CHEMBL3580962)
Show SMILES N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,wD:1.0,(-1.34,-9.7,;-1.34,-8.47,;-.01,-7.7,;-.01,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-2.68,-6.16,;-2.68,-7.7,)|
Show InChI InChI=1/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13-
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n/an/a 2.20E+3n/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%