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Compile Data Set for Download or QSAR

Found 131 hits of ic50 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))
BDBM50201641
PNG
(CHEMBL3923175)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)
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n/an/a 0.330n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201648
PNG
(CHEMBL3950903)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2F)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C32H36F2N6O3S/c1-4-44(42,43)30-18-25(11-12-28(30)39-15-13-38(3)14-16-39)36-32-35-19-27(34)31(37-32)40(20-24-7-5-6-8-26(24)33)29-17-23(21-41)10-9-22(29)2/h5-12,17-19,41H,4,13-16,20-21H2,1-3H3,(H,35,36,37)
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n/an/a 0.350n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201651
PNG
(CHEMBL3896232)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C27H35FN6O3S/c1-6-38(36,37)25-15-21(7-8-23(25)34-11-9-32(4)10-12-34)30-27-29-16-22(28)26(31-27)33(5)24-14-20(17-35)18(2)13-19(24)3/h7-8,13-16,35H,6,9-12,17H2,1-5H3,(H,29,30,31)
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n/an/a 0.450n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201654
PNG
(CHEMBL3964858)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C28H35FN6O3S/c1-6-39(37,38)26-11-20(7-8-24(26)35-15-21-12-22(35)14-33(21)4)31-28-30-13-23(29)27(32-28)34(5)25-10-19(16-36)17(2)9-18(25)3/h7-11,13,21-22,36H,6,12,14-16H2,1-5H3,(H,30,31,32)/t21-,22-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201641
PNG
(CHEMBL3923175)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)
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n/an/a<1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human PAK1 (150-end residues) expressed in baculovirus expression system


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201649
PNG
(CHEMBL3914181)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C32H37FN6O3S/c1-4-43(41,42)30-19-26(12-13-28(30)38-16-14-37(3)15-17-38)35-32-34-20-27(33)31(36-32)39(21-24-8-6-5-7-9-24)29-18-25(22-40)11-10-23(29)2/h5-13,18-20,40H,4,14-17,21-22H2,1-3H3,(H,34,35,36)
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201642
PNG
(CHEMBL3942173)
Show SMILES CCN(c1cc(CO)ccc1C)c1nc(Nc2ccc(N3CCN(C)CC3)c(c2)S(=O)(=O)CC)ncc1F
Show InChI InChI=1S/C27H35FN6O3S/c1-5-34(24-15-20(18-35)8-7-19(24)3)26-22(28)17-29-27(31-26)30-21-9-10-23(25(16-21)38(36,37)6-2)33-13-11-32(4)12-14-33/h7-10,15-17,35H,5-6,11-14,18H2,1-4H3,(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201655
PNG
(CHEMBL3924245)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30)
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n/an/a 2.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50112347
PNG
(CHEMBL3609327 | FRAX597)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50201650
PNG
(CHEMBL3933198)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)cc(c1)N1CCOCC1
Show InChI InChI=1S/C26H32FN5O4S/c1-5-37(34,35)22-13-20(12-21(14-22)32-6-8-36-9-7-32)29-26-28-15-23(27)25(30-26)31(4)24-11-19(16-33)17(2)10-18(24)3/h10-15,33H,5-9,16H2,1-4H3,(H,28,29,30)
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201644
PNG
(CHEMBL3910608)
Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C25H30FN5O4S/c1-16-9-17(2)23(10-18(16)15-32)30(3)24-22(26)14-27-25(29-24)28-19-11-20(31-5-7-35-8-6-31)13-21(12-19)36(4,33)34/h9-14,32H,5-8,15H2,1-4H3,(H,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50112348
PNG
(CHEMBL3609372)
Show SMILES CC(C)NC(=O)N1CC[C@@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type dephosphorylated form of PAK1 (249 to 545) (unknown origin) expressed in Escherichia coli using 5-Fluo-Ahx-AKRRRLSSLRA-COOH a...


ACS Med Chem Lett 6: 776-81 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00102
BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50112347
PNG
(CHEMBL3609327 | FRAX597)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
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n/an/a 7.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PAK1 by Z'-LYTE assay


ACS Med Chem Lett 6: 776-81 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00102
BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50112355
PNG
(CHEMBL3609326)
Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)
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n/an/a 8.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of full length PAK1 (unknown origin) by Z'-LYTE assay


ACS Med Chem Lett 6: 776-81 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00102
BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201653
PNG
(CHEMBL3962678)
Show SMILES CN(c1cc(CO)ccc1C)c1nc(Nc2ccc(N3CCN(C)CC3)c(c2)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C25H31FN6O3S/c1-17-5-6-18(16-33)13-22(17)31(3)24-20(26)15-27-25(29-24)28-19-7-8-21(23(14-19)36(4,34)35)32-11-9-30(2)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29)
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n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201646
PNG
(CHEMBL3980696)
Show SMILES CN(c1cc(CO)ccc1Cl)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C23H25ClFN5O4S/c1-29(21-9-15(14-31)3-4-19(21)24)22-20(25)13-26-23(28-22)27-16-10-17(30-5-7-34-8-6-30)12-18(11-16)35(2,32)33/h3-4,9-13,31H,5-8,14H2,1-2H3,(H,26,27,28)
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n/an/a 9.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201647
PNG
(CHEMBL3961614)
Show SMILES CN(c1cc(CO)ccc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C24H28FN5O4S/c1-16-4-5-17(15-31)10-22(16)29(2)23-21(25)14-26-24(28-23)27-18-11-19(30-6-8-34-9-7-30)13-20(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
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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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


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


ACS Med Chem Lett 6: 776-81 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00102
BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50112352
PNG
(CHEMBL3609371)
Show SMILES CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type dephosphorylated form of PAK1 (249 to 545) (unknown origin) expressed in Escherichia coli using 5-Fluo-Ahx-AKRRRLSSLRA-COOH a...


ACS Med Chem Lett 6: 776-81 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00102
BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50201652
PNG
(CHEMBL3891484)
Show SMILES CN(c1ccc(C)c(CO)c1)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C24H28FN5O4S/c1-16-4-5-19(10-17(16)15-31)29(2)23-22(25)14-26-24(28-23)27-18-11-20(30-6-8-34-9-7-30)13-21(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50305878
PNG
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1
Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PAK1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201643
PNG
(CHEMBL3935195)
Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C25H31FN6O/c1-17-13-18(2)23(14-19(17)16-33)31(4)24-22(26)15-27-25(29-24)28-20-5-7-21(8-6-20)32-11-9-30(3)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29)
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201640
PNG
(CHEMBL3892617)
Show SMILES CN(c1cccc(CO)c1)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C23H26FN5O4S/c1-28(18-5-3-4-16(10-18)15-30)22-21(24)14-25-23(27-22)26-17-11-19(29-6-8-33-9-7-29)13-20(12-17)34(2,31)32/h3-5,10-14,30H,6-9,15H2,1-2H3,(H,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
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=1S/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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n/an/a 45n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
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=1S/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-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
More data for this
Ligand-Target Pair
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=1S/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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n/an/a 57n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201641
PNG
(CHEMBL3923175)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)
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n/an/a 59n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
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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n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PAK1-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/ml400101g
BindingDB Entry DOI: 10.7270/Q2X068DZ
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50234660
PNG
(CHEMBL4067898)
Show SMILES COc1ccccc1-n1cc(COC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)nn1
Show InChI InChI=1S/C25H22N4O4/c1-32-23-10-6-5-9-21(23)29-15-18(26-27-29)16-33-25(31)19-13-14-28-20(19)11-12-22(28)24(30)17-7-3-2-4-8-17/h2-12,15,19H,13-14,16H2,1H3
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n/an/a 65n/an/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human A549 cells using myelin basic protein as substrate preincubated for 24 hrs followed by PAK1 immunoprecipation and substra...


Eur J Med Chem 126: 270-276 (2017)

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=1S/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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n/an/a 69n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 71n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PAK1-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/ml400101g
BindingDB Entry DOI: 10.7270/Q2X068DZ
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437027
PNG
(CHEMBL2403080)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
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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n/an/a 73n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
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
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50112347
PNG
(CHEMBL3609327 | FRAX597)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
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n/an/a 88n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50437026
PNG
(CHEMBL2403056)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(F)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24ClFN6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(25)23(30-24)17-11-16(5-6-27)12-18(26)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/a 98n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50340555
PNG
((4-methyl-3-(methyl(2-(3-(methylsulfonyl)-5-morpho...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)n1)c1cc(CO)ccc1C
Show InChI InChI=1S/C24H29N5O4S/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(29-8-10-33-11-9-29)15-21(14-19)34(3,31)32/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27)
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50437025
PNG
(CHEMBL2403057)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24Cl2N6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(26)23(30-24)17-11-16(5-6-27)12-18(25)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/a 103n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/a 110n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
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
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201654
PNG
(CHEMBL3964858)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C28H35FN6O3S/c1-6-39(37,38)26-11-20(7-8-24(26)35-15-21-12-22(35)14-33(21)4)31-28-30-13-23(29)27(32-28)34(5)25-10-19(16-36)17(2)9-18(25)3/h7-11,13,21-22,36H,6,12,14-16H2,1-5H3,(H,30,31,32)/t21-,22-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
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=1S/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-/m0/s1
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n/an/a 120n/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
BindingDB Entry DOI: 10.7270/Q2DV1MN9
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=1S/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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n/an/a 124n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50437029
PNG
(CHEMBL2403077)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)C(C)C1
Show InChI InChI=1S/C25H27ClN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)
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n/an/a 126n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201648
PNG
(CHEMBL3950903)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2F)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C32H36F2N6O3S/c1-4-44(42,43)30-18-25(11-12-28(30)39-15-13-38(3)14-16-39)36-32-35-19-27(34)31(37-32)40(20-24-7-5-6-8-26(24)33)29-17-23(21-41)10-9-22(29)2/h5-12,17-19,41H,4,13-16,20-21H2,1-3H3,(H,35,36,37)
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n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
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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n/an/a 133n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PAK1-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/ml400101g
BindingDB Entry DOI: 10.7270/Q2X068DZ
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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n/an/a 145n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
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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n/an/a 147n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
More data for this
Ligand-Target Pair
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