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Compile Data Set for Download or QSAR

Found 127 hits of ki data for polymerid = 8604   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
PAK1


(Homo sapiens (Human))		BDBM50181451
PNG
(CHEMBL3818265)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1
Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31)
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 0.950n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148928
PNG
(CHEMBL3770909)
Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1
Show InChI InChI=1/C27H30ClN7O/c1-3-31-27-32-13-19-10-22(21-9-6-18(11-23(21)28)24-14-30-12-16(2)33-24)26(36)35(25(19)34-27)15-17-4-7-20(29)8-5-17/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H,31,32,34)/t17-,20-
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 1.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))		BDBM50148920
PNG
(CHEMBL3769478)
Show SMILES CN[C@H]1CO[C@H](Cn2c3nc(NC)ncc3cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c2=O)OC1
Show InChI InChI=1/C26H27ClN6O3/c1-15-5-4-6-22(31-15)16-7-8-19(21(27)10-16)20-9-17-11-30-26(29-3)32-24(17)33(25(20)34)12-23-35-13-18(28-2)14-36-23/h4-11,18,23,28H,12-14H2,1-3H3,(H,29,30,32)/t18-,23-
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 1.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148927
PNG
(CHEMBL3770588)
Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1
Show InChI InChI=1/C28H31ClN6O/c1-3-31-28-32-15-20-13-23(22-12-9-19(14-24(22)29)25-6-4-5-17(2)33-25)27(36)35(26(20)34-28)16-18-7-10-21(30)11-8-18/h4-6,9,12-15,18,21H,3,7-8,10-11,16,30H2,1-2H3,(H,31,32,34)/t18-,21-
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 2.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50181449
PNG
(CHEMBL3817856)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC3CCNCC3(F)F)c2n1
Show InChI InChI=1/C26H25ClF2N6O2/c1-15-4-3-9-34(23(15)36)18-5-6-19(21(27)11-18)20-10-16-12-32-25(30-2)33-22(16)35(24(20)37)13-17-7-8-31-14-26(17,28)29/h3-6,9-12,17,31H,7-8,13-14H2,1-2H3,(H,30,32,33)
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 2.70n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182295
PNG
(CHEMBL3818046)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C23H23ClN6O/c1-14-5-3-6-20(28-14)15-7-8-17(19(24)12-15)18-11-16-13-27-23(26-2)29-21(16)30(22(18)31)10-4-9-25/h3,5-8,11-13H,4,9-10,25H2,1-2H3,(H,26,27,29)
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 3.30n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182290
PNG
(CHEMBL3819356)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C23H23ClN6O2/c1-14-5-3-9-29(21(14)31)16-6-7-17(19(24)12-16)18-11-15-13-27-23(26-2)28-20(15)30(22(18)32)10-4-8-25/h3,5-7,9,11-13H,4,8,10,25H2,1-2H3,(H,26,27,28)
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 3.5n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148921
PNG
(CHEMBL3770443)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
Show InChI InChI=1/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-
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 3.70n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))		BDBM50148921
PNG
(CHEMBL3770443)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
Show InChI InChI=1/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-
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 3.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

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)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50185825
PNG
(CHEMBL3824224)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1nc2cc[nH]c2cc1F
Show InChI InChI=1/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-/s2
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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...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50434331
PNG
(CHEMBL2386717)
Show SMILES CC(CO)N(Cc1cc(F)cc2[nH]ncc12)c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C21H23FN8O/c1-12(11-31)30(10-14-6-15(22)7-18-16(14)9-24-27-18)21-23-5-4-19(26-21)25-20-8-17(28-29-20)13-2-3-13/h4-9,12-13,31H,2-3,10-11H2,1H3,(H,24,27)(H2,23,25,26,28,29)
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 4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant GST-tagged PAK1 kinase domain-mediated 5FAM-RRRLSFAEPG phosphorylation expressed in Sf9 cells preincubated for 10 min...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148919
PNG
(CHEMBL3770363)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CC3COC4(CNC4)OC3)c2n1
Show InChI InChI=1S/C27H27ClN6O3/c1-16-4-3-5-23(32-16)18-6-7-20(22(28)9-18)21-8-19-10-31-26(29-2)33-24(19)34(25(21)35)11-17-12-36-27(37-13-17)14-30-15-27/h3-10,17,30H,11-15H2,1-2H3,(H,29,31,33)
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 4.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50181450
PNG
(CHEMBL3818828)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC3CN(C)C3)c2n1
Show InChI InChI=1S/C26H27ClN6O3/c1-16-5-4-8-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-29-26(28-2)30-23(17)33(25(21)35)9-10-36-19-14-31(3)15-19/h4-8,11-13,19H,9-10,14-15H2,1-3H3,(H,28,29,30)
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 4.40n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182287
PNG
(CHEMBL3818592)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccnc(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C22H22ClN7O2/c1-13-20(31)29(9-7-26-13)15-4-5-16(18(23)11-15)17-10-14-12-27-22(25-2)28-19(14)30(21(17)32)8-3-6-24/h4-5,7,9-12H,3,6,8,24H2,1-2H3,(H,25,27,28)
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 4.60n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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 5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)

ACS Med Chem Lett 6: 711-5 (2015)

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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

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)

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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

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)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50185823
PNG
(CHEMBL3823612)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1cc2cc[nH]c2cn1
Show InChI InChI=1/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-/s2
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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...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50434333
PNG
(CHEMBL2386718)
Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CC2(F)F)n1)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C19H18F2N8/c1-10(11-2-3-13-15(6-11)24-9-23-13)25-18-22-5-4-16(27-18)26-17-7-14(28-29-17)12-8-19(12,20)21/h2-7,9-10,12H,8H2,1H3,(H,23,24)(H3,22,25,26,27,28,29)/t10-,12?/m0/s1
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 5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant GST-tagged PAK1 kinase domain-mediated 5FAM-RRRLSFAEPG phosphorylation expressed in Sf9 cells preincubated for 10 min...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182399
PNG
(CHEMBL3818479)
Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O
Show InChI InChI=1/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)
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 5.20n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182405
PNG
(CHEMBL3818016)
Show SMILES COCCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O
Show InChI InChI=1S/C25H24ClN5O4/c1-15-4-3-7-30(23(15)32)18-5-6-19(21(26)11-18)20-10-16-12-27-25(28-17-13-35-14-17)29-22(16)31(24(20)33)8-9-34-2/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,27,28,29)
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 5.90n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50185827
PNG
(CHEMBL3823523)
Show SMILES C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cc(Cl)c2n1
Show InChI InChI=1/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-/s2
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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...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148930
PNG
(CHEMBL3769748)
Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(CC3CCNCC3)c2n1
Show InChI InChI=1S/C26H28ClN7O/c1-3-30-26-31-13-19-10-21(25(35)34(24(19)33-26)15-17-6-8-28-9-7-17)20-5-4-18(11-22(20)27)23-14-29-12-16(2)32-23/h4-5,10-14,17,28H,3,6-9,15H2,1-2H3,(H,30,31,33)
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 6n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148929
PNG
(CHEMBL3770369)
Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(CCCCN)c2n1
Show InChI InChI=1S/C24H26ClN7O/c1-3-28-24-29-13-17-10-19(23(33)32(22(17)31-24)9-5-4-8-26)18-7-6-16(11-20(18)25)21-14-27-12-15(2)30-21/h6-7,10-14H,3-5,8-9,26H2,1-2H3,(H,28,29,31)
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 6.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182294
PNG
(CHEMBL3817984)
Show SMILES CCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O
Show InChI InChI=1S/C24H22ClN5O3/c1-3-29-21-15(11-26-24(28-21)27-16-12-33-13-16)9-19(23(29)32)18-7-6-17(10-20(18)25)30-8-4-5-14(2)22(30)31/h4-11,16H,3,12-13H2,1-2H3,(H,26,27,28)
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 6.30n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182288
PNG
(CHEMBL3818432)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C22H22ClN7O2/c1-13-10-26-12-30(20(13)31)15-4-5-16(18(23)9-15)17-8-14-11-27-22(25-2)28-19(14)29(21(17)32)7-3-6-24/h4-5,8-12H,3,6-7,24H2,1-2H3,(H,25,27,28)
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 6.70n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50434332
PNG
(CHEMBL2386716)
Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CCC2)n1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C21H23N7/c1-13(15-5-6-17-16(11-15)7-9-22-17)24-21-23-10-8-19(26-21)25-20-12-18(27-28-20)14-3-2-4-14/h5-14,22H,2-4H2,1H3,(H3,23,24,25,26,27,28)/t13-/m0/s1
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 6.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant GST-tagged PAK1 kinase domain-mediated 5FAM-RRRLSFAEPG phosphorylation expressed in Sf9 cells preincubated for 10 min...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148926
PNG
(CHEMBL3769456)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1
Show InChI InChI=1/C26H28ClN7O/c1-15-11-30-13-23(32-15)17-5-8-20(22(27)10-17)21-9-18-12-31-26(29-2)33-24(18)34(25(21)35)14-16-3-6-19(28)7-4-16/h5,8-13,16,19H,3-4,6-7,14,28H2,1-2H3,(H,29,31,33)/t16-,19-
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 7.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148918
PNG
(CHEMBL3769552)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@@H]3CCNCC3(F)F)c2n1
Show InChI InChI=1/C26H25ClF2N6O/c1-15-4-3-5-22(33-15)16-6-7-19(21(27)11-16)20-10-17-12-32-25(30-2)34-23(17)35(24(20)36)13-18-8-9-31-14-26(18,28)29/h3-7,10-12,18,31H,8-9,13-14H2,1-2H3,(H,30,32,34)/t18-/s2
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 7.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182293
PNG
(CHEMBL3817890)
Show SMILES CCn1c2nc(NC)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O
Show InChI InChI=1S/C22H20ClN5O2/c1-4-27-19-14(12-25-22(24-3)26-19)10-17(21(27)30)16-8-7-15(11-18(16)23)28-9-5-6-13(2)20(28)29/h5-12H,4H2,1-3H3,(H,24,25,26)
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 8n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148922
PNG
(CHEMBL3770295)
Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
Show InChI InChI=1/C25H26ClN7O3/c1-3-29-25-30-9-16-6-19(18-5-4-15(7-20(18)26)21-10-28-8-14(2)31-21)24(34)33(23(16)32-25)11-22-35-12-17(27)13-36-22/h4-10,17,22H,3,11-13,27H2,1-2H3,(H,29,30,32)/t17-,22-
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 8n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50181448
PNG
(CHEMBL3818233)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC(F)(F)CN)c2n1
Show InChI InChI=1S/C23H21ClF2N6O2/c1-13-4-3-7-31(20(13)33)15-5-6-16(18(24)9-15)17-8-14-10-29-22(28-2)30-19(14)32(21(17)34)12-23(25,26)11-27/h3-10H,11-12,27H2,1-2H3,(H,28,29,30)
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 9n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(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
Show InChI InChI=1/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-/s2
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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...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50181452
PNG
(CHEMBL3819118)
Show SMILES CCc1cccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC)nc3n(C[C@H]3CNCCO3)c2=O)c1=O
Show InChI InChI=1/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/s2
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 11n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182399
PNG
(CHEMBL3818479)
Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O
Show InChI InChI=1/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)
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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 N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
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
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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

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)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182297
PNG
(CHEMBL3818372)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccn(C)c3=O)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C21H22ClN7O2/c1-24-20-25-12-13-10-16(19(30)29(7-3-6-23)18(13)26-20)15-5-4-14(11-17(15)22)28-9-8-27(2)21(28)31/h4-5,8-12H,3,6-7,23H2,1-2H3,(H,24,25,26)
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 13n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182292
PNG
(CHEMBL3818273)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC)c2n1
Show InChI InChI=1S/C23H22ClN5O3/c1-14-5-4-8-28(21(14)30)16-6-7-17(19(24)12-16)18-11-15-13-26-23(25-2)27-20(15)29(22(18)31)9-10-32-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,27)
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 13n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


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



Genentech

Curated by ChEMBL


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

J Med Chem 57: 1033-45 (2014)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50096233
PNG
(CHEMBL3593824)
Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CCC(=O)C2)n1
Show InChI InChI=1S/C34H50BrN5O6/c1-5-21(3)30-34(45)39-17-11-10-14-29(39)33(44)36-26(13-9-7-8-12-24(41)6-2)31(42)37-27(32(43)38-30)18-22-20-40(46-4)28-16-15-23(35)19-25(22)28/h15-16,19,21-22,26-27,29-30H,5-14,17-18,20H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t21?,22?,26-,27-,29+,30-/m0/s1
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 16n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)

ACS Med Chem Lett 6: 711-5 (2015)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50182291
PNG
(CHEMBL3818138)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCO)c2n1
Show InChI InChI=1S/C22H20ClN5O3/c1-13-4-3-7-27(20(13)30)15-5-6-16(18(23)11-15)17-10-14-12-25-22(24-2)26-19(14)28(8-9-29)21(17)31/h3-7,10-12,29H,8-9H2,1-2H3,(H,24,25,26)
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 17n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50096228
PNG
(CHEMBL3594175)
Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1
Show InChI InChI=1S/C36H53N5O6/c1-5-14-26(42)15-8-7-9-17-28-34(44)38-29(21-25-22-41(47-4)30-18-11-10-16-27(25)30)35(45)39-33(24(3)6-2)32(43)23-40-20-13-12-19-31(40)36(46)37-28/h10-11,16,18,22,24,28-29,31,33H,5-9,12-15,17,19-21,23H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)/t24?,28-,29-,31+,33-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)

ACS Med Chem Lett 6: 711-5 (2015)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50185833
PNG
(CHEMBL3823457)
Show SMILES C[C@H](N(C)c1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1
Show InChI InChI=1/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-/s2
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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...

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More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50096239
PNG
(CHEMBL3594180)
Show SMILES CCN1CC[C@@H](C1=O)c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1
Show InChI InChI=1S/C41H55N5O7/c1-6-25(3)36-41(51)46-20-14-13-19-35(46)40(50)43-33(18-10-8-9-15-27(47)7-2)38(48)44-34(39(49)45-36)24-31-30-16-11-12-17-32(30)42-37(31)26-21-28(52-4)23-29(22-26)53-5/h11-12,16-17,21-23,25,33-36,42H,6-10,13-15,18-20,24H2,1-5H3,(H,43,50)(H,44,48)(H,45,49)/t25?,33-,34-,35+,36-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)

ACS Med Chem Lett 6: 711-5 (2015)

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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

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)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148923
PNG
(CHEMBL3770943)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CNCCO3)c2n1
Show InChI InChI=1/C24H24ClN7O2/c1-14-9-28-12-21(30-14)15-3-4-18(20(25)8-15)19-7-16-10-29-24(26-2)31-22(16)32(23(19)33)13-17-11-27-5-6-34-17/h3-4,7-10,12,17,27H,5-6,11,13H2,1-2H3,(H,26,29,31)/t17-/s2
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 19n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
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
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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

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)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))		BDBM50148931
PNG
(CHEMBL3770186)
Show SMILES CCn1c2nc(NCCC3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncc(C)n2)c1=O
Show InChI InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34)
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 22n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))		BDBM50182402
PNG
(CHEMBL3819447)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCOC)c2n1
Show InChI InChI=1S/C22H21ClN6O3/c1-13-10-25-12-29(20(13)30)15-4-5-16(18(23)9-15)17-8-14-11-26-22(24-2)27-19(14)28(21(17)31)6-7-32-3/h4-5,8-12H,6-7H2,1-3H3,(H,24,26,27)
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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 N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

Citation and Details
More data for this
Ligand-Target Pair
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