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Compile Data Set for Download or QSAR

Found 255 hits of ic50 data for polymerid = 5403   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C epsilon expressed in Sf-9 cells

J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101618
PNG
(US8530652, 114)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113334
BindingDB Entry DOI: 10.7270/Q21Z48GP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused PAK4 (1 to 591 residues) expressed in baculovirus expression system using S2 as substrate measur...

Eur J Med Chem 131: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.063
BindingDB Entry DOI: 10.7270/Q28G8NZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50600087
PNG
(CHEMBL5180027)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r,wU:4.7,1.0,(6.67,-3.85,;5.34,-3.08,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.34,-1.54,;1.34,-.77,;1.34,.77,;-0,1.53,;-0,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.34,3.07,;-6.67,3.84,;-4.01,3.85,;1.33,3.85,;2.66,3.08,;4.16,3.54,;5.04,2.32,;4.12,1.08,;2.66,1.54,)|
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n/an/a 2.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116700
BindingDB Entry DOI: 10.7270/Q2FN1B89
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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n/an/a 4.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay

ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50043014
PNG
(CHEMBL3355023)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1 |r|
Show InChI InChI=1S/C20H20N8O2/c1-4-22-18-25-14-6-5-13(7-8-20(3,29)16-9-12(2)30-27-16)10-15(14)28(18)19-24-11-23-17(21)26-19/h5-6,9-11,29H,4H2,1-3H3,(H,22,25)(H2,21,23,24,26)/t20-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay

ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50591962
PNG
(CHEMBL5175418)
Show SMILES Cc1cc(Nc2cc(Cc3ccccc3)nc(NC3CCNCC3)n2)n[nH]1
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n/an/a 5.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114424
BindingDB Entry DOI: 10.7270/Q2VX0MHV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(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 |r|
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 7n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor

Eur J Med Chem 131: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.063
BindingDB Entry DOI: 10.7270/Q28G8NZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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n/an/a 7.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

J Med Chem 57: 1033-45 (2014)


Article DOI: 10.1021/jm401768t
BindingDB Entry DOI: 10.7270/Q2F47QNW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50251098
PNG
(CHEMBL4097816)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116700
BindingDB Entry DOI: 10.7270/Q2FN1B89
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50251098
PNG
(CHEMBL4097816)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PAK4 (295 to 591 residues) expressed in Baculovirus expression system by Z'-Lyte assay

J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(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 |r|
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 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PAK4 (unknown origin)

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111878
BindingDB Entry DOI: 10.7270/Q2K93C9Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50237832
PNG
(CHEMBL1198335)
Show SMILES COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
Show InChI InChI=1S/C20H22N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,21,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



Arromax Pharmatech Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) assessed as reduction in histone phosphorylation incubated for 1 hr at 4 degC by immunoblotting analysis

Eur J Med Chem 170: 55-72 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.004
BindingDB Entry DOI: 10.7270/Q2474F5D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(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 |r|
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 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PAK4 (unknown origin)

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112517
BindingDB Entry DOI: 10.7270/Q2Q243W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252687
PNG
(CHEMBL4078441)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H18N4O3/c26-11-19(13-4-2-1-3-5-13)25-20(27)14-6-7-18-16(8-14)17(21(28)24-18)9-15-10-22-12-23-15/h1-10,12,19,26H,11H2,(H,22,23)(H,24,28)(H,25,27)/b17-9-/t19-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252687
PNG
(CHEMBL4078441)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H18N4O3/c26-11-19(13-4-2-1-3-5-13)25-20(27)14-6-7-18-16(8-14)17(21(28)24-18)9-15-10-22-12-23-15/h1-10,12,19,26H,11H2,(H,22,23)(H,24,28)(H,25,27)/b17-9-/t19-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) using substrate S2 after 60 mins by HTRF assay

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252687
PNG
(CHEMBL4078441)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H18N4O3/c26-11-19(13-4-2-1-3-5-13)25-20(27)14-6-7-18-16(8-14)17(21(28)24-18)9-15-10-22-12-23-15/h1-10,12,19,26H,11H2,(H,22,23)(H,24,28)(H,25,27)/b17-9-/t19-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(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 |r|
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 18n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(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 |r|
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 19n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged PAK4 expressed in bacterial expression system by pyruvate kinase/LDH enzyme coupled assay

Eur J Med Chem 131: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.063
BindingDB Entry DOI: 10.7270/Q28G8NZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101618
PNG
(US8530652, 114)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human PAK4 kinase domain (300 to 591) using peptide 7 as substrate by pyruvate kinase/lactate dehydr...

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)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50600088
PNG
(CHEMBL5183512)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r,wU:4.7,wD:1.0,(6.67,-3.85,;5.34,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.34,-.77,;1.34,.77,;-0,1.53,;-0,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.34,3.07,;-6.67,3.84,;-4.01,3.85,;1.33,3.85,;2.66,3.08,;4.16,3.54,;5.04,2.32,;4.12,1.08,;2.66,1.54,)|
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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116700
BindingDB Entry DOI: 10.7270/Q2FN1B89
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PAK4 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252732
PNG
(CHEMBL4104099)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C22H19N3O3/c26-13-20(14-5-2-1-3-6-14)25-21(27)15-8-9-19-17(11-15)18(22(28)24-19)12-16-7-4-10-23-16/h1-12,20,23,26H,13H2,(H,24,28)(H,25,27)/b18-12-/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252732
PNG
(CHEMBL4104099)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C22H19N3O3/c26-13-20(14-5-2-1-3-6-14)25-21(27)15-8-9-19-17(11-15)18(22(28)24-19)12-16-7-4-10-23-16/h1-12,20,23,26H,13H2,(H,24,28)(H,25,27)/b18-12-/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) using substrate S2 after 60 mins by HTRF assay

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(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 |r|
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 24n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(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 |r|
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 24n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) using substrate S2 after 60 mins by HTRF assay

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50449495
PNG
(CHEMBL4160587)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252688
PNG
(CHEMBL4088781)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r|
Show InChI InChI=1S/C24H23N3O3/c1-14-10-15(2)25-21(14)12-19-18-11-17(8-9-20(18)26-24(19)30)23(29)27-22(13-28)16-6-4-3-5-7-16/h3-12,22,25,28H,13H2,1-2H3,(H,26,30)(H,27,29)/b19-12-/t22-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) using substrate S2 after 60 mins by HTRF assay

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 27.9n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252688
PNG
(CHEMBL4088781)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r|
Show InChI InChI=1S/C24H23N3O3/c1-14-10-15(2)25-21(14)12-19-18-11-17(8-9-20(18)26-24(19)30)23(29)27-22(13-28)16-6-4-3-5-7-16/h3-12,22,25,28H,13H2,1-2H3,(H,26,30)(H,27,29)/b19-12-/t22-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50449511
PNG
(CHEMBL4164650)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3Cl)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H21ClN4O3/c28-20-9-5-4-8-18(20)23(25-29-12-13-30-25)24-19-14-17(10-11-21(19)31-27(24)35)26(34)32-22(15-33)16-6-2-1-3-7-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50237831
PNG
(CHEMBL4087295)
Show SMILES Clc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1
Show InChI InChI=1S/C25H20ClN7/c26-17-5-7-23-20(12-17)24(30-18-6-8-21-16(11-18)14-29-33-21)32-25(31-23)27-10-9-15-13-28-22-4-2-1-3-19(15)22/h1-8,11-14,28H,9-10H2,(H,29,33)(H2,27,30,31,32)
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n/an/a 33n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused PAK4 (1 to 591 residues) expressed in baculovirus expression system using S2 as substrate measur...

Eur J Med Chem 131: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.063
BindingDB Entry DOI: 10.7270/Q28G8NZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50043013
PNG
(CHEMBL3355024)
Show SMILES CNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1 |r|
Show InChI InChI=1S/C19H18N8O2/c1-11-8-15(26-29-11)19(2,28)7-6-12-4-5-13-14(9-12)27(17(21-3)24-13)18-23-10-22-16(20)25-18/h4-5,8-10,28H,1-3H3,(H,21,24)(H2,20,22,23,25)/t19-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay

ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101618
PNG
(US8530652, 114)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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n/an/a 38n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116700
BindingDB Entry DOI: 10.7270/Q2FN1B89
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(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 |r|
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 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human N-terminal GST/His6-tagged PAK4 expressed in baculovirus infected sf9 insect cells using tetra LRRWSLG as...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112517
BindingDB Entry DOI: 10.7270/Q2Q243W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50235830
PNG
(CHEMBL2006765)
Show SMILES CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27)
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n/an/a 46n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of PAK4 kinase domain (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50600084
PNG
(CHEMBL5184137)
Show SMILES Clc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116700
BindingDB Entry DOI: 10.7270/Q2FN1B89
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50252708
PNG
(CHEMBL4073938)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H18FN3O3/c23-15-6-3-13(4-7-15)20(12-27)26-21(28)14-5-8-19-17(10-14)18(22(29)25-19)11-16-2-1-9-24-16/h1-11,20,24,27H,12H2,(H,25,29)(H,26,28)/b18-11-/t20-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design& Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, PR China.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)

Bioorg Med Chem 25: 3500-3511 (2017)


Article DOI: 10.1016/j.bmc.2017.04.047
BindingDB Entry DOI: 10.7270/Q21Z46VS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50449507
PNG
(CHEMBL4172279)
Show SMILES COc1ccc(cc1)C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ncc[nH]1 |r|
Show InChI InChI=1S/C28H24N4O4/c1-36-20-10-7-18(8-11-20)24(26-29-13-14-30-26)25-21-15-19(9-12-22(21)31-28(25)35)27(34)32-23(16-33)17-5-3-2-4-6-17/h2-15,23,33H,16H2,1H3,(H,29,30)(H,31,35)(H,32,34)/b25-24-/t23-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50449510
PNG
(CHEMBL4175282)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3F)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H21FN4O3/c28-20-9-5-4-8-18(20)23(25-29-12-13-30-25)24-19-14-17(10-11-21(19)31-27(24)35)26(34)32-22(15-33)16-6-2-1-3-7-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50448775
PNG
(CHEMBL3128055)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C17H19N7O/c1-4-19-15-22-12-6-5-11(7-8-17(2,3)25)9-13(12)24(15)16-21-10-20-14(18)23-16/h5-6,9-10,25H,4H2,1-3H3,(H,19,22)(H2,18,20,21,23)
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n/an/a 66n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay

ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50449498
PNG
(CHEMBL4171839)
Show SMILES Cc1ccccc1\C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)c1ncc[nH]1 |r|
Show InChI InChI=1S/C28H24N4O3/c1-17-7-5-6-10-20(17)24(26-29-13-14-30-26)25-21-15-19(11-12-22(21)31-28(25)35)27(34)32-23(16-33)18-8-3-2-4-9-18/h2-15,23,33H,16H2,1H3,(H,29,30)(H,31,35)(H,32,34)/b25-24-/t23-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50204290
PNG
(CHEMBL3979920 | US11077111, Compound IIIa | US2023...)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PAK4 catalytic domain (295 to 591 residues) expressed in baculovirus expression system by Z'-LYTE assay

Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50449501
PNG
(CHEMBL4174013)
Show SMILES CCc1ncc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r|
Show InChI InChI=1S/C23H22N4O3/c1-2-21-24-12-16(25-21)11-18-17-10-15(8-9-19(17)26-23(18)30)22(29)27-20(13-28)14-6-4-3-5-7-14/h3-12,20,28H,2,13H2,1H3,(H,24,25)(H,26,30)(H,27,29)/b18-11-/t20-/m1/s1
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay

Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50237819
PNG
(CHEMBL4089425)
Show SMILES Clc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Show InChI InChI=1S/C25H20ClN7/c26-17-5-7-23-20(12-17)24(27-10-9-15-13-28-22-4-2-1-3-19(15)22)32-25(31-23)30-18-6-8-21-16(11-18)14-29-33-21/h1-8,11-14,28H,9-10H2,(H,29,33)(H2,27,30,31,32)
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n/an/a 93n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused PAK4 (1 to 591 residues) expressed in baculovirus expression system using S2 as substrate measur...

Eur J Med Chem 131: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.063
BindingDB Entry DOI: 10.7270/Q28G8NZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50591934
PNG
(CHEMBL5209160)
Show SMILES Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3[nH]ncc23)n[nH]1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114424
BindingDB Entry DOI: 10.7270/Q2VX0MHV
More data for this
Ligand-Target Pair
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