Found 26 hits of ic50 data for polymerid = 8936 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 3
(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 | 0.235 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PAK3 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 3
(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 | 0.343 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human PAK3 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 3
(Homo sapiens (Human)) | BDBM50468260
(CHEMBL4282837)Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccc(O)cc3c3c4CNC(=O)c4c4c5cc(O)ccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O5/c1-28-26(36-3)17(29-2)10-20(37-28)31-18-6-4-12(33)8-14(18)22-23-16(11-30-27(23)35)21-15-9-13(34)5-7-19(15)32(28)25(21)24(22)31/h4-9,17,20,26,29,33-34H,10-11H2,1-3H3,(H,30,35)/t17-,20-,26-,28+/m1/s1 | PDB
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PAK Research Center
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PAK3 (unknown origin) expressed in Escherichia coli using peptide PC9 substrate |
Eur J Med Chem 142: 229-243 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.043
BindingDB Entry DOI: 10.7270/Q21J9DG3 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 3
(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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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PAK3 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 3
(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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| n/a | n/a | 19.3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 3
(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 PAK3 (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 3
(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 PAK3 (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 3
(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 PAK3-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 3
(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 PAK3-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 3
(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 PAK3 (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 3
(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 PAK3-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 3
(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 3
(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 PAK3-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 3
(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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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of PAK3 (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 3
(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 | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PAK3 (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 3
(Homo sapiens (Human)) | BDBM50579499
(CHEMBL4847875)Show SMILES CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(nc4)C(F)(F)F)cc3)ncnc2c1 | PDB
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| n/a | n/a | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of wild-type human full length PAK3 (M1 to R544 residues) expressed in bacterial expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01006
BindingDB Entry DOI: 10.7270/Q2W3815D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 3
(Homo sapiens (Human)) | BDBM50429867
(CHEMBL2333365)Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of PAK3 (unknown origin) |
J Med Chem 56: 2218-34 (2013)
Article DOI: 10.1021/jm3007933
BindingDB Entry DOI: 10.7270/Q2ZC847X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 3
(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PAK3 (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 3
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full-length human PAK3 using RRRLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric sci... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 3
(Homo sapiens (Human)) | BDBM50389320
(CHEMBL2063926)Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1 Show InChI InChI=1S/C26H35N9S/c1-36-21-5-3-2-4-20(21)31-25-22-23(24(30-17-29-22)28-16-18-6-7-18)32-26(33-25)35-14-12-34(13-15-35)19-8-10-27-11-9-19/h2-5,17-19,27H,6-16H2,1H3,(H,28,29,30)(H,31,32,33) | PDB
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| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description
Inhibition of PAK3 by FRET assay |
Bioorg Med Chem Lett 22: 5326-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.008
BindingDB Entry DOI: 10.7270/Q21J9BV6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 3
(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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Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human PAK3 using [KKLNRTLSFAEPG] 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 3
(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 PAK3 |
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 3
(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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Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of PAK3 |
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 3
(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 PAK3 |
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 3
(Homo sapiens (Human)) | BDBM50380246
(CHEMBL2017214)Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of PAK3 |
ACS Med Chem Lett 2: 538-543 (2011)
Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 3
(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
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human His-tagged PAK3 expressed in baculovirus expression system using serine/threonine-20 peptide as substrate... |
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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