Found 39 hits of ic50 data for polymerid = 8935 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c
BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PAK2 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 2
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 (unknown origin) |
Eur J Med Chem 141: 657-675 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.003
BindingDB Entry DOI: 10.7270/Q2CV4M86 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human PAK2 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 2
(Homo sapiens (Human)) | BDBM50201641
(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) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged recombinant human PAK2 (3-end residues) expressed in Escherichia coli |
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 | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50148921
(CHEMBL3770443)Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| 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- | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK2 |
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 Structure (crystal) |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50112347
(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) | PDB
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The Scripps Research Institute
| Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma... |
J Biol Chem 288: 29105-14 (2013)
Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50112347
(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) | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PAK2 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 Structure (crystal) |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50112347
(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) | PDB
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TBA
| Assay Description
Inhibition of PAK2 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112220
BindingDB Entry DOI: 10.7270/Q20C50JG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50112355
(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) | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of full length PAK2 (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 | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50601538
(CHEMBL5090394)Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02144
BindingDB Entry DOI: 10.7270/Q2W66QTG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50434330
(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) | PDB
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Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PAK2-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay |
ACS Med Chem Lett 4: 431-2 (2013)
Article DOI: 10.1021/ml400101g
BindingDB Entry DOI: 10.7270/Q2X068DZ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50434331
(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) | PDB
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Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PAK2-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay |
ACS Med Chem Lett 4: 431-2 (2013)
Article DOI: 10.1021/ml400101g
BindingDB Entry DOI: 10.7270/Q2X068DZ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50434332
(CHEMBL2386716)Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CCC2)n1)c1ccc2[nH]ccc2c1 |r| 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 | PDB
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Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PAK2-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay |
ACS Med Chem Lett 4: 431-2 (2013)
Article DOI: 10.1021/ml400101g
BindingDB Entry DOI: 10.7270/Q2X068DZ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM101618
(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 | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 (unknown origin) |
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 Structure (crystal) |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50434333
(CHEMBL2386718)Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CC2(F)F)n1)c1ccc2nc[nH]c2c1 |r| 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 | PDB
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Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PAK2-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay |
ACS Med Chem Lett 4: 431-2 (2013)
Article DOI: 10.1021/ml400101g
BindingDB Entry DOI: 10.7270/Q2X068DZ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | CHEMBL5274607
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TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50448771
(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) | PDB
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| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 (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 Structure (crystal) |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
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Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043
BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50192071
((13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahe...)Show SMILES C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O Show InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1 | PDB
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 |
Bioorg Med Chem Lett 16: 5122-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.026
BindingDB Entry DOI: 10.7270/Q2K35VF0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50564348
(CHEMBL4780410)Show SMILES FC(F)(F)c1cc(NC(=O)NC2CCN(CC2)c2ncnc3[nH]ncc23)cc(c1)C(F)(F)F | PDB
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| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PAK2 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112220
BindingDB Entry DOI: 10.7270/Q20C50JG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50355393
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31) | PDB
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Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PAK2 |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50436850
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) | PDB
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Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 (unknown origin) after 60 mins |
J Med Chem 56: 5675-90 (2014)
Article DOI: 10.1021/jm400402q
BindingDB Entry DOI: 10.7270/Q2G1627J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50363167
(CHEMBL1945559)Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24) | PDB
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Ludwig-Maximilians University of Munich
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 using ATP as substrate |
J Med Chem 55: 403-13 (2012)
Article DOI: 10.1021/jm201286z
BindingDB Entry DOI: 10.7270/Q20G3KK7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | CHEMBL5281068
| PDB
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM236557
(US9365572, 5)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1 Show InChI InChI=1S/C22H13F3N6O2/c23-22(24,25)12-2-1-3-13(8-12)31-19-14(20(32)30-21(31)33)10-27-16-6-5-15(29-18(16)19)11-4-7-17(26)28-9-11/h1-10H,(H2,26,28)(H,30,32,33) | PDB
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| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 28 |
Xuanzhu Pharma Co., Ltd.
US Patent
| Assay Description
Agents: 1-fold kinase buffer without MnCl2: 50 mM HEPES, pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT. 1-fold kinase buffer with MnCl2: 50 mM HEPES... |
US Patent US9365572 (2016)
BindingDB Entry DOI: 10.7270/Q20C4TNC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50001733
(CHEMBL3133821)Show InChI InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20) | PDB
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Martin-Luther University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human PAK2 |
Bioorg Med Chem Lett 24: 1948-51 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.002
BindingDB Entry DOI: 10.7270/Q2TM7CN0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50501882
(CHEMBL4446361)Show SMILES Fc1cccc(NC(=O)CC(=O)Nc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2)c1 Show InChI InChI=1S/C23H18FN5O2/c24-15-4-3-6-17(12-15)26-22(30)14-23(31)27-18-7-9-19-20(28-29-21(19)13-18)10-8-16-5-1-2-11-25-16/h1-13H,14H2,(H,26,30)(H,27,31)(H,28,29)/b10-8+ | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild-type human partial length PAK2 (P151 to R525 residues) expressed in bacterial expression system after 1 hr by Z-LYTE assay |
J Med Chem 62: 5006-5024 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00176
BindingDB Entry DOI: 10.7270/Q2P84G4P |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM106870
(US8592455, 70)Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1 | PDB
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Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 (unknown origin) |
J Med Chem 58: 8373-86 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50123803
(CHEMBL3623375)Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34) | PDB
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Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK2 |
Bioorg Med Chem Lett 25: 4534-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.068
BindingDB Entry DOI: 10.7270/Q24X59MV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50429477
(CHEMBL2332840)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29) | PDB
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Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 (unknown origin) |
J Med Chem 56: 1641-55 (2013)
Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50135286
(CHEMBL3745885)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human PAK2 using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] substrate |
Bioorg Med Chem 24: 521-44 (2016)
Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50194671
(4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(...)Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F Show InChI InChI=1S/C30H30F3N5O2/c1-18-4-5-20(15-24(18)19-6-8-25-21(14-19)17-35-29(34-2)37-25)28(39)36-26-16-22(30(31,32)33)7-9-27(26)40-23-10-12-38(3)13-11-23/h4-9,14-17,23H,10-13H2,1-3H3,(H,36,39)(H,34,35,37) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Pak2 by HTRF kinase assay |
J Med Chem 49: 5671-86 (2006)
Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50194668
(4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6...)Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c1-19-5-6-21(27(38)35-24-4-2-3-23(17-24)29(30,31)32)16-25(19)20-7-8-26-22(15-20)18-34-28(36-26)33-9-10-37-11-13-39-14-12-37/h2-8,15-18H,9-14H2,1H3,(H,35,38)(H,33,34,36) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Pak2 by HTRF kinase assay |
J Med Chem 49: 5671-86 (2006)
Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50359359
(CHEMBL1929238)Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35) | PDB
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Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50331277
(3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...)Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed GmbH
Curated by ChEMBL
| Assay Description
Inhibition of PAK2 |
Bioorg Med Chem Lett 20: 6998-7003 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.119
BindingDB Entry DOI: 10.7270/Q2JD4X29 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50038423
(CHEMBL3361128)Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PAK2 (unknown origin) after 60 mins by z'-lyte kinase assay |
Eur J Med Chem 89: 310-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.044
BindingDB Entry DOI: 10.7270/Q2JQ12NJ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50537742
(CHEMBL4634634 | US11179389, Compound 1-14)Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
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MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic c-Src |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG |
More data for this
Ligand-Target Pair | |
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