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Compile Data Set for Download or QSAR

Found 285 hits of ic50 for UniProtKB: P51955   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 1n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50234994
PNG
(CHEMBL4063211)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1
Show InChI InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35)
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n/an/a 3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50574084
PNG
(CHEMBL4860697)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2cc(ccn12)-c1cnn(CCN(C)C)c1)c1ccccc1C(F)(F)F |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NEK2 (unknown origin) using 5' FAM-KKLNRTLSVA-COOH peptide as a substrate in the presence of ATP incubated for 60 mins by microfluidics...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113776
BindingDB Entry DOI: 10.7270/Q2NZ8CFK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50235015
PNG
(CHEMBL4091089)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)10-11-37-17-22(15-35-37)20-8-9-38-25(16-34-27(38)14-20)21-6-7-24(28(33)39)26(13-21)40-18-19-4-3-5-23(12-19)29(30,31)32/h3-9,12-17H,10-11,18H2,1-2H3,(H2,33,39)
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n/an/a 7n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553217
PNG
(CHEMBL4761747)
Show SMILES CN(C)S(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553212
PNG
(CHEMBL4763380)
Show SMILES CN1CCc2ccc(Nc3nc(C#C)c4nc[nH]c4n3)cc2C1=O
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50381716
PNG
(ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...)
Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553207
PNG
(CHEMBL4786783)
Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human NEK2 by kinase-profiling analysis


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347865
PNG
(CHEMBL1802383)
Show SMILES Cc1nc[nH]c1C=C1C(=O)Nc2ccc(cc12)C(=O)CCl |w:6.6|
Show InChI InChI=1S/C15H12ClN3O2/c1-8-13(18-7-17-8)5-11-10-4-9(14(20)6-16)2-3-12(10)19-15(11)21/h2-5,7H,6H2,1H3,(H,17,18)(H,19,21)
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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385915
PNG
(CHEMBL2042135)
Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553200
PNG
(CHEMBL4796125)
Show SMILES CNC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385916
PNG
(CHEMBL2042136)
Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553205
PNG
(CHEMBL4743876)
Show SMILES CC(=O)Nc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
CHEMBL1997822
PNG
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553213
PNG
(CHEMBL4779487)
Show SMILES CN1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2CC1=O
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385922
PNG
(CHEMBL2042035)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-13-17(8-10-21(24)27(33)36)22-12-18(14-34-26(22)32)25-11-9-19(38-25)15-35(2)3/h4-14,16H,15H2,1-3H3,(H2,32,34)(H2,33,36)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385923
PNG
(CHEMBL2042036)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(C)c(CN(C)C)s1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O2S/c1-16-11-25(39-26(16)15-36(3)4)19-12-22(27(33)35-14-19)18-9-10-21(28(34)37)24(13-18)38-17(2)20-7-5-6-8-23(20)29(30,31)32/h5-14,17H,15H2,1-4H3,(H2,33,35)(H2,34,37)
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n/an/a 47n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553201
PNG
(CHEMBL4775990)
Show SMILES CN(C)C(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 autophosphorylation preincubated with compound by DELFIA assay


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM121388
PNG
(US8722890, 3)
Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553198
PNG
(CHEMBL4796754)
Show SMILES CN(C)C(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553215
PNG
(CHEMBL4783060)
Show SMILES CS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385924
PNG
(CHEMBL2042037)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1sc(CN(C)C)cc1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O2S/c1-16-11-20(15-36(3)4)39-26(16)19-12-23(27(33)35-14-19)18-9-10-22(28(34)37)25(13-18)38-17(2)21-7-5-6-8-24(21)29(30,31)32/h5-14,17H,15H2,1-4H3,(H2,33,35)(H2,34,37)
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n/an/a 58n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385916
PNG
(CHEMBL2042136)
Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347864
PNG
(CHEMBL1802382)
Show SMILES ClCC(=O)c1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:12.12|
Show InChI InChI=1S/C14H10ClN3O2/c15-5-13(19)8-1-2-12-10(3-8)11(14(20)18-12)4-9-6-16-7-17-9/h1-4,6-7H,5H2,(H,16,17)(H,18,20)
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n/an/a 60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553207
PNG
(CHEMBL4786783)
Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553204
PNG
(CHEMBL4748191)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553199
PNG
(CHEMBL4795738)
Show SMILES CNC(=O)C(C(=O)NC)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553197
PNG
(CHEMBL4746054)
Show SMILES CNC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385914
PNG
(CHEMBL2042042)
Show SMILES C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553196
PNG
(CHEMBL4783265)
Show SMILES CNC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553214
PNG
(CHEMBL4776787)
Show SMILES CC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553195
PNG
(CHEMBL4746829)
Show SMILES NC(=O)CCc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50235007
PNG
(CHEMBL4087758)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)11-12-34-17-22(15-32-34)19-9-10-35-25(16-31-27(35)14-19)20-7-8-23(28(30)36)26(13-20)37-18-21-5-3-4-6-24(21)29/h3-10,13-17H,11-12,18H2,1-2H3,(H2,30,36)
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n/an/a 87n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553209
PNG
(CHEMBL4761123)
Show SMILES CN(C)C(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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n/an/a 88n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553208
PNG
(CHEMBL4776060)
Show SMILES NC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
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n/an/a 93n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385928
PNG
(CHEMBL2042038)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCCCC2)s1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C31H31F3N4O2S/c1-19(23-7-3-4-8-26(23)31(32,33)34)40-27-16-20(9-11-24(27)30(36)39)25-15-21(17-37-29(25)35)28-12-10-22(41-28)18-38-13-5-2-6-14-38/h3-4,7-12,15-17,19H,2,5-6,13-14,18H2,1H3,(H2,35,37)(H2,36,39)
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n/an/a 93n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553210
PNG
(CHEMBL4754015)
Show SMILES O=C1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2N1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553202
PNG
(CHEMBL4753609)
Show SMILES NC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553203
PNG
(CHEMBL4756141)
Show SMILES CNC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553194
PNG
(CHEMBL4759854)
Show SMILES NC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385919
PNG
(CHEMBL2042031)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O2/c1-18(23-6-4-5-7-26(23)30(31,32)33)39-27-15-21(12-13-24(27)29(35)38)25-14-22(16-36-28(25)34)20-10-8-19(9-11-20)17-37(2)3/h4-16,18H,17H2,1-3H3,(H2,34,36)(H2,35,38)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50553216
PNG
(CHEMBL4754958)
Show SMILES NS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347866
PNG
(CHEMBL1802384)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1 |w:7.6|
Show InChI InChI=1S/C17H16ClN3O2/c1-3-16-19-9(2)14(20-16)7-12-11-6-10(15(22)8-18)4-5-13(11)21-17(12)23/h4-7H,3,8H2,1-2H3,(H,19,20)(H,21,23)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50235350
PNG
(CHEMBL4094562)
Show SMILES C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
Show InChI InChI=1S/C13H9N5/c1-2-10-11-12(15-8-14-11)18-13(17-10)16-9-6-4-3-5-7-9/h1,3-8H,(H2,14,15,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50235361
PNG
(CHEMBL4074015)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C13H10N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h1,3-7H,(H2,14,20,21)(H2,15,16,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...


Citation and Details

Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV
More data for this
Ligand-Target Pair
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