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PubMed code 27346791

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185825
PNG
(CHEMBL3824224)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1nc2cc[nH]c2cc1F |r|
Show InChI InChI=1S/C19H19FN8/c1-10(18-12(20)8-15-13(24-18)4-6-21-15)23-19-22-7-5-16(26-19)25-17-9-14(27-28-17)11-2-3-11/h4-11,21H,2-3H2,1H3,(H3,22,23,25,26,27,28)/t10-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185823
PNG
(CHEMBL3823612)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1cc2cc[nH]c2cn1 |r|
Show InChI InChI=1S/C19H20N8/c1-11(14-8-13-4-6-20-16(13)10-22-14)23-19-21-7-5-17(25-19)24-18-9-15(26-27-18)12-2-3-12/h4-12,20H,2-3H2,1H3,(H3,21,23,24,25,26,27)/t11-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185827
PNG
(CHEMBL3823523)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cc(Cl)c2n1 |r|
Show InChI InChI=1S/C19H19ClN8/c1-10(13-4-5-14-18(24-13)12(20)9-22-14)23-19-21-7-6-16(26-19)25-17-8-15(27-28-17)11-2-3-11/h4-11,22H,2-3H2,1H3,(H3,21,23,25,26,27,28)/t10-/m0/s1
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 6n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185828
PNG
(CHEMBL3824061)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)[C@H]2C[C@@H]2F)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C19H19FN8/c1-10(13-2-3-14-15(24-13)4-6-21-14)23-19-22-7-5-17(26-19)25-18-9-16(27-28-18)11-8-12(11)20/h2-7,9-12,21H,8H2,1H3,(H3,22,23,25,26,27,28)/t10-,11-,12-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185833
PNG
(CHEMBL3823457)
Show SMILES C[C@H](N(C)c1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C20H22N8/c1-12(14-5-6-15-16(23-14)7-9-21-15)28(2)20-22-10-8-18(25-20)24-19-11-17(26-27-19)13-3-4-13/h5-13,21H,3-4H2,1-2H3,(H2,22,24,25,26,27)/t12-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185824
PNG
(CHEMBL3824243)
Show SMILES CC[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C20H22N8/c1-2-13(15-6-5-14-16(23-15)7-9-21-14)24-20-22-10-8-18(26-20)25-19-11-17(27-28-19)12-3-4-12/h5-13,21H,2-4H2,1H3,(H3,22,24,25,26,27,28)/t13-/m0/s1
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 23n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185831
PNG
(CHEMBL3823614)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)[C@@H]2C[C@H]2F)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C19H19FN8/c1-10(13-2-3-14-15(24-13)4-6-21-14)23-19-22-7-5-17(26-19)25-18-9-16(27-28-18)11-8-12(11)20/h2-7,9-12,21H,8H2,1H3,(H3,22,23,25,26,27,28)/t10-,11+,12+/m0/s1
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 25n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50097133
PNG
(CHEMBL3580968)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1 |r|
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 31n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185822
PNG
(CHEMBL3824314)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C19H20N8/c1-11(13-4-5-14-15(23-13)6-8-20-14)22-19-21-9-7-17(25-19)24-18-10-16(26-27-18)12-2-3-12/h4-12,20H,2-3H2,1H3,(H3,21,22,24,25,26,27)/t11-/m0/s1
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 32n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185832
PNG
(CHEMBL3822836)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC(F)(F)C2)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C20H20F2N8/c1-11(13-2-3-14-15(26-13)4-6-23-14)25-19-24-7-5-17(28-19)27-18-8-16(29-30-18)12-9-20(21,22)10-12/h2-8,11-12,23H,9-10H2,1H3,(H3,24,25,27,28,29,30)/t11-/m0/s1
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 68n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(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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 70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185830
PNG
(CHEMBL3823056)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)[C@@H]2C[C@@H]2F)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C19H19FN8/c1-10(13-2-3-14-15(24-13)4-6-21-14)23-19-22-7-5-17(26-19)25-18-9-16(27-28-18)11-8-12(11)20/h2-7,9-12,21H,8H2,1H3,(H3,22,23,25,26,27,28)/t10-,11+,12-/m0/s1
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 84n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185826
PNG
(CHEMBL3823258)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1nc2cc[nH]c2cc1Cl |r|
Show InChI InChI=1S/C19H19ClN8/c1-10(18-12(20)8-15-13(24-18)4-6-21-15)23-19-22-7-5-16(26-19)25-17-9-14(27-28-17)11-2-3-11/h4-11,21H,2-3H2,1H3,(H3,22,23,25,26,27,28)/t10-/m0/s1
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 119n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185821
PNG
(CHEMBL3824075)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1
Show InChI InChI=1S/C18H18N8/c1-2-11(1)15-9-17(26-25-15)23-16-6-8-20-18(24-16)21-10-12-3-4-13-14(22-12)5-7-19-13/h3-9,11,19H,1-2,10H2,(H3,20,21,23,24,25,26)
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 120n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185829
PNG
(CHEMBL3823469)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)[C@H]2C[C@H]2F)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C19H19FN8/c1-10(13-2-3-14-15(24-13)4-6-21-14)23-19-22-7-5-17(26-19)25-18-9-16(27-28-18)11-8-12(11)20/h2-7,9-12,21H,8H2,1H3,(H3,22,23,25,26,27,28)/t10-,11-,12+/m0/s1
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 120n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185820
PNG
(CHEMBL3824324)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2nccn2c1
Show InChI InChI=1S/C18H18N8/c1-4-17-19-7-8-26(17)11-12(1)10-21-18-20-6-5-15(23-18)22-16-9-14(24-25-16)13-2-3-13/h1,4-9,11,13H,2-3,10H2,(H3,20,21,22,23,24,25)
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 360n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50185821
PNG
(CHEMBL3824075)
Show SMILES C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1
Show InChI InChI=1S/C18H18N8/c1-2-11(1)15-9-17(26-25-15)23-16-6-8-20-18(24-16)21-10-12-3-4-13-14(22-12)5-7-19-13/h3-9,11,19H,1-2,10H2,(H3,20,21,23,24,25,26)
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 505n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PAK4 kinase domain (295 to 591 residues) expressed in baculovirus expression system assessed as suppressio...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50185834
PNG
(CHEMBL3822986)
Show SMILES C[C@@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C19H20N8/c1-11(13-4-5-14-15(23-13)6-8-20-14)22-19-21-9-7-17(25-19)24-18-10-16(26-27-18)12-2-3-12/h4-12,20H,2-3H2,1H3,(H3,21,22,24,25,26,27)/t11-/m1/s1
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n/an/a 685n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation o...

Bioorg Med Chem Lett 26: 3518-24 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.031
BindingDB Entry DOI: 10.7270/Q2KK9DQJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%