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Compile Data Set for Download or QSAR

Found 324 hits Enz. Inhib. hit(s) with Target = 'PAK1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
PAK1


(Homo sapiens (Human))
BDBM50148920
PNG
(CHEMBL3769478)
PDB

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1.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50148928
PNG
(CHEMBL3770909)
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1.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50148927
PNG
(CHEMBL3770588)
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2.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50148921
PNG
(CHEMBL3770443)
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3.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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...


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)
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4.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




Citation and Details
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...


Citation and Details
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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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


Citation and Details
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...


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))
BDBM50148930
PNG
(CHEMBL3769748)
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6n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50148929
PNG
(CHEMBL3770369)
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6.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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)
PDB

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7.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50148918
PNG
(CHEMBL3769552)
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7.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50148922
PNG
(CHEMBL3770295)
PDB

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8n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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...


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


Citation and Details
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)


Citation and Details
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...


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)


Citation and Details
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)


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


(Homo sapiens (Human))
BDBM50148923
PNG
(CHEMBL3770943)
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19n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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...


Citation and Details
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., 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...


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


(Homo sapiens (Human))
BDBM50148931
PNG
(CHEMBL3770186)
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22n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50096232
PNG
(CHEMBL3593823)
Show SMILES Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CCCO3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C33H48N4O6/c1-4-22(3)29-33(43)37-19-13-12-18-28(37)32(42)34-26(17-11-7-10-16-24(38)5-2)30(40)35-27(31(41)36-29)21-25(39)20-23-14-8-6-9-15-23/h6,8-9,14-15,22,26-29H,4-5,7,10-13,16-21H2,1-3H3,(H,34,42)(H,35,40)(H,36,41)/t22?,26-,27-,28+,29-/m0/s1
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25n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


Citation and Details
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
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., 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...


Citation and Details
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., 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...


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


(Homo sapiens (Human))
BDBM50096234
PNG
(CHEMBL3593825)
Show SMILES COCC(C)c1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1
Show InChI InChI=1S/C36H51N5O6/c1-5-20-40-22-26(25-16-11-12-18-28(25)40)32(43)31-35(46)38-30(23(4)6-2)36(47)41-21-14-13-19-29(41)34(45)37-27(33(44)39-31)17-10-8-9-15-24(42)7-3/h11-12,16,18,22-23,27,29-31H,5-10,13-15,17,19-21H2,1-4H3,(H,37,45)(H,38,46)(H,39,44)/t23?,27-,29+,30-,31+/m0/s1
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29n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


Citation and Details
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
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., 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...


Citation and Details
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., 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...


Citation and Details
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., 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...


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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36n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...


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


(Homo sapiens (Human))
BDBM50096229
PNG
(CHEMBL3594177)
Show SMILES CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1
Show InChI InChI=1S/C38H54N6O5/c1-4-25(3)32-38(49)44-23-15-12-20-31(44)36(47)40-30(19-9-6-8-16-26(45)5-2)35(46)42-33(37(48)41-32)28-24-39-29-18-11-10-17-27(29)34(28)43-21-13-7-14-22-43/h10-11,17-18,24-25,30-33H,4-9,12-16,19-23H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)/t25?,30-,31+,32-,33+/m0/s1
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37n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


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


(Homo sapiens (Human))
BDBM50434330
PNG
(CHEMBL2386715)
Show SMILES COCCN(Cc1cc(F)cc2[nH]ncc12)c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C21H23FN8O/c1-31-7-6-30(12-14-8-15(22)9-18-16(14)11-24-27-18)21-23-5-4-19(26-21)25-20-10-17(28-29-20)13-2-3-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,24,27)(H2,23,25,26,28,29)
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37n/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))
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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50096240
PNG
(CHEMBL3594181)
Show SMILES C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1
Show InChI InChI=1S/C34H49N5O5/c1-5-22(3)30-34(44)39-19-13-12-18-29(39)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-38(4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1
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46n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


Citation and Details
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., 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...


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


(Homo sapiens (Human))
BDBM50096230
PNG
(CHEMBL3594178)
Show SMILES CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1
Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21?,24-,25+,27-,28+/m0/s1
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49n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


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


(Homo sapiens (Human))
BDBM50097131
PNG
(CHEMBL3580667)
Show SMILES N[C@H]1[C@@H]2CN(C[C@H]12)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1
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., 998 Halei Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai 201203, People's Republic of China.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


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


(Homo sapiens (Human))
BDBM50148925
PNG
(CHEMBL3770806)
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64n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50148924
PNG
(CHEMBL3769981)
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66n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




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

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


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


(Homo sapiens (Human))
BDBM50096237
PNG
(CHEMBL3594176)
Show SMILES CN1CC[C@@H](C1=O)c1cc(Nc2ccnc(NC[C@H]3CC[C@H](N)CC3)n2)n[nH]1
Show InChI InChI=1S/C35H51N5O5/c1-5-23(4)31-35(45)40-20-14-13-19-30(40)34(44)36-27(17-10-8-9-15-25(41)6-2)32(42)37-28(33(43)38-31)21-24-22-39(7-3)29-18-12-11-16-26(24)29/h11-12,16,18,22-23,27-28,30-31H,5-10,13-15,17,19-21H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t23?,27-,28-,30+,31-/m0/s1
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111n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


Citation and Details
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., 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...


Citation and Details
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., 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...


Citation and Details
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., 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...


Citation and Details
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
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-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
157n/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...


Citation and Details
More data for this
Ligand-Target Pair
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