Found 253 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Nek1' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50341519
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of NEK1 |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek11
(Homo sapiens (Human)) | BDBM50224883
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29) | KEGG
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| >1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of NEK11 |
Bioorg Med Chem Lett 17: 6593-601 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50463479
(CHEMBL4249925)Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1 Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25) | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of NEK1 (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50463483
(CHEMBL4245242)Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32) | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of NEK1 (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(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 | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(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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| Article
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| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NEK1 using MBP 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 Nek1
(Homo sapiens (Human)) | BDBM50586775
(CHEMBL5087398)Show SMILES COC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1 | PDB
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TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(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 | 18.4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human NEK1 using MBP 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 Nek1
(Homo sapiens (Human)) | BDBM50586774
(CHEMBL5082392)Show SMILES COC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cncnc3)c2c1 | PDB
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TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50586771
(CHEMBL5091645)Show SMILES COC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccccc3)c2c1 | PDB
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TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50586776
(CHEMBL5091627) | PDB
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TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50586773
(CHEMBL5082440)Show SMILES COC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 | PDB
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TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM139540
(US10189849, staurosporine | US10307427, Staurospor...)Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1 | PDB
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| US Patent
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University—Of The Commonwealth System Of Higher Education
US Patent
| Assay Description
The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2,4-difluorophenylsulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, was subjected to a kinase... |
US Patent US8889696 (2014)
BindingDB Entry DOI: 10.7270/Q2930RVR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50586772
(CHEMBL5086489)Show SMILES COC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(OC)c3)c2c1 | PDB
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TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50330575
((-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxypheny...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O |r| Show InChI InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | 25 |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of NEK1 after 1 hr at room temperature by caliper method |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek11
(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 | KEGG
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NEK11 using MBP 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 Nek1
(Homo sapiens (Human)) | BDBM50603394
(CHEMBL5201686)Show SMILES OC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603394
(CHEMBL5201686)Show SMILES OC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM139540
(US10189849, staurosporine | US10307427, Staurospor...)Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1 | PDB
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Temple University—Of The Commonwealth System Of Higher Education
US Patent
| Assay Description
The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2,4-difluorophenylsulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, was subjected to a kinase... |
US Patent US8889696 (2014)
BindingDB Entry DOI: 10.7270/Q2930RVR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50431029
(CHEMBL574646)Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+ | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay |
J Med Chem 56: 3456-66 (2013)
Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(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 | 630 | 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 NEK1 using MBP as 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 Nek11
(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 | KEGG
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| n/a | n/a | 752 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human NEK11 using MBP 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 Nek1
(Homo sapiens (Human)) | BDBM50586770
(CHEMBL4454763) | PDB
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| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128418
BindingDB Entry DOI: 10.7270/Q2QC07FN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603408
(CHEMBL5206874)Show SMILES OC[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(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 NEK1 (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 Nek1
(Homo sapiens (Human)) | BDBM50603405
(CHEMBL5189609)Show SMILES OC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603407
(CHEMBL5200819)Show SMILES OC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603404
(CHEMBL5174141)Show SMILES OC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| | PDB
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603393
(CHEMBL5197597) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603406
(CHEMBL5182208)Show SMILES OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50330578
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) | PDB
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of NEK1 after 1 hr at room temperature by caliper method |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603400
(CHEMBL5182549)Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 | PDB
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603393
(CHEMBL5197597) | PDB
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| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50431028
(CHEMBL2338333)Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+ | PDB
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay |
J Med Chem 56: 3456-66 (2013)
Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50413876
(CHEMBL520954)Show SMILES CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C17H20N4O2S/c1-21(2)12-11-20-24(22,23)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10,20H,11-12H2,1-2H3,(H,18,19) | PDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603402
(CHEMBL5203616)Show SMILES CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 | PDB
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| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603396
(CHEMBL5208840)Show SMILES O=S(=O)(NCCN1CCCCC1)c1ccc(cc1)-c1ccnc2[nH]ccc12 | PDB
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| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50413876
(CHEMBL520954)Show SMILES CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C17H20N4O2S/c1-21(2)12-11-20-24(22,23)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10,20H,11-12H2,1-2H3,(H,18,19) | PDB
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| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603401
(CHEMBL5197360)Show SMILES CC(=O)OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 | PDB
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| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603395
(CHEMBL5181887)Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM139539
(US8889696, 39)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O Show InChI InChI=1S/C22H16FN5OS/c1-28-20-14(11-19(21(28)29)30-17-5-2-15(23)3-6-17)12-25-22(27-20)26-16-4-7-18-13(10-16)8-9-24-18/h2-12,24H,1H3,(H,25,26,27) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University—Of The Commonwealth System Of Higher Education
US Patent
| Assay Description
The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2,4-difluorophenylsulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, was subjected to a kinase... |
US Patent US8889696 (2014)
BindingDB Entry DOI: 10.7270/Q2930RVR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM139539
(US8889696, 39)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O Show InChI InChI=1S/C22H16FN5OS/c1-28-20-14(11-19(21(28)29)30-17-5-2-15(23)3-6-17)12-25-22(27-20)26-16-4-7-18-13(10-16)8-9-24-18/h2-12,24H,1H3,(H,25,26,27) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University—Of The Commonwealth System Of Higher Education
US Patent
| Assay Description
The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2,4-difluorophenylsulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, was subjected to a kinase... |
US Patent US8889696 (2014)
BindingDB Entry DOI: 10.7270/Q2930RVR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human NEK1 |
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 Nek11
(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) | KEGG
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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 NEK11 using MBP as 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 Nek1
(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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human NEK1 (1 to 505 residues) using RLGRDKYKTLRQI as substrate measured after 40 mins in presence of [gamma33P]ATP by radi... |
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 Nek11
(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) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human NEK11 using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radi... |
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 Nek1
(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 NEK1 (M1 to K278 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 Nek1
(Homo sapiens (Human)) | BDBM50353060
(CHEMBL4167193)Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)N(C)C |r,t:28| Show InChI InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-7,13,16-17,19,24-28H,8-12,14-15,18H2,1-4H3/t24-,25-,26+,27-,28-,29-,30+/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild-type human partial length NEK1 (M1 to K278 residues) expressed in bacterial expression system by Kinomescan method |
ACS Med Chem Lett 9: 540-545 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00011
BindingDB Entry DOI: 10.7270/Q2125W6Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50603398
(CHEMBL5172286)Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02118
BindingDB Entry DOI: 10.7270/Q2RV0SSW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(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
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| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant NEK1 (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 | |
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