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Compile Data Set for Download or QSAR

Found 168 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase NEK6' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


J Med Chem 53: 7296-315 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


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



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50329929
PNG
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31)
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n/an/a 336n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 20: 6489-94 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50445473
PNG
(CHEMBL3104851)
Show SMILES Cc1c(O)c(O)c2O[C@H]3O[C@H](C(=O)c4c(O)c(O)c(O)c(C)c34)c2c1C=O
Show InChI InChI=1S/C18H14O9/c1-4-6(3-19)8-16-13(23)9-7(5(2)11(21)14(24)12(9)22)18(26-16)27-17(8)15(25)10(4)20/h3,16,18,20-22,24-25H,1-2H3/t16-,18+/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


J Nat Prod 77: 49-56 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50329915
PNG
(1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12
Show InChI InChI=1S/C22H23F3N8O2/c1-32-19-14(18(31-32)20(26)34)4-2-12-11-28-21(30-17(12)19)29-15-10-13(33-8-6-27-7-9-33)3-5-16(15)35-22(23,24)25/h3,5,10-11,27H,2,4,6-9H2,1H3,(H2,26,34)(H,28,29,30)
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n/an/a 595n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 20: 6489-94 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50329914
PNG
(1-methyl-8-(5-(4-methylpiperazin-1-yl)-2-(trifluor...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C23H25F3N8O2/c1-32-7-9-34(10-8-32)14-4-6-17(36-23(24,25)26)16(11-14)29-22-28-12-13-3-5-15-19(21(27)35)31-33(2)20(15)18(13)30-22/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 20: 6489-94 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50445474
PNG
(CHEMBL3104855)
Show SMILES Cc1c(O)c(O)c2oc(cc2c1C=O)-c1c(C)c(O)c(O)c(O)c1C=O
Show InChI InChI=1S/C18H14O8/c1-6-9(4-19)8-3-11(26-18(8)17(25)13(6)21)12-7(2)14(22)16(24)15(23)10(12)5-20/h3-5,21-25H,1-2H3
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n/an/a 1.85E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


J Nat Prod 77: 49-56 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 4.23E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


J Nat Prod 77: 49-56 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50446564
PNG
(CHEMBL3109404)
Show SMILES COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1
Show InChI InChI=1S/C23H32O4/c1-14-7-6-8-19-22(14,3)10-9-15(2)23(19,4)13-17-11-16(21(26)27-5)12-18(24)20(17)25/h7,11-12,15,19,24-25H,6,8-10,13H2,1-5H3/t15-,19+,22-,23+/m0/s1
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n/an/a 7.72E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK6 (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay


J Nat Prod 77: 218-26 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


J Nat Prod 77: 49-56 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM138348
PNG
(US8877944, 99)
Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human NEK6


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50329913
PNG
(1-(2-fluoroethyl)-8-(5-(piperazin-1-yl)-2-(trifluo...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCF)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H26F4N8O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(26,27)28)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-25)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11H2,1H3,(H2,29,37)(H,30,31,32)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 20: 6489-94 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Oncology

Curated by ChEMBL


Assay Description
Inhibition of Nek6


Nat Chem Biol 4: 357-65 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 22: 96-101 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 22: 96-101 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50378657
PNG
(CHEMBL1230607)
Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50307507
PNG
(CHEMBL597754 | N-1-Dimethyl-8-{[1-(methylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Show InChI InChI=1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


J Med Chem 53: 2171-87 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


J Med Chem 53: 2171-87 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


J Med Chem 53: 2171-87 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM41575
PNG
(CHEMBL1094408 | US8614220, A85B1C1Z)
Show SMILES COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H19F3N4O4/c1-12-16(13(2)33-28-12)10-29-17-5-4-15(7-18(17)32-11-20(29)30)21(31)27-9-14-3-6-19(26-8-14)22(23,24)25/h3-8H,9-11H2,1-2H3,(H,27,31)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


J Med Chem 53: 3532-51 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50343559
PNG
(1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50135286
PNG
(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)
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human NEK6 using MBP as substrate


Bioorg Med Chem 24: 521-44 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50048374
PNG
(CHEMBL3310151)
Show SMILES CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
Show InChI InChI=1S/C22H22FN7O2/c1-28-4-6-29(7-5-28)14-10-15(23)20-16(11-14)25-19(30-21(20)26-22(24)27-30)9-13-2-3-17-18(8-13)32-12-31-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,24,27)
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 22: 4135-50 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50048365
PNG
(CHEMBL3309998)
Show SMILES Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
Show InChI InChI=1S/C19H18N6O3/c20-19-23-18-13-3-2-12(21-5-6-26)9-14(13)22-17(25(18)24-19)8-11-1-4-15-16(7-11)28-10-27-15/h1-4,7,9,21,26H,5-6,8,10H2,(H2,20,24)
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 22: 4135-50 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50048364
PNG
(CHEMBL3309997)
Show SMILES OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H17N5O3/c25-7-1-6-20-13-3-4-14-15(9-13)23-18(24-19(14)21-10-22-24)12-2-5-16-17(8-12)27-11-26-16/h2-5,8-10,20,25H,1,6-7,11H2
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 22: 4135-50 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50021626
PNG
(CHEMBL3298400)
Show SMILES CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
Show InChI InChI=1S/C18H23N3O2S/c1-18(2,3)11-20-16(22)7-14-8-19-17(23)15-6-13(9-21(14)15)12-4-5-24-10-12/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,19,23)(H,20,22)
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 21: 7364-80 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50021618
PNG
(CHEMBL3297762 | US9145418, 2)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1
Show InChI InChI=1S/C28H38ClN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 21: 7364-80 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50048357
PNG
(CHEMBL3309990)
Show SMILES Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Show InChI InChI=1S/C17H12FN5O2/c18-10-2-1-3-11-15(10)16-21-17(19)22-23(16)14(20-11)7-9-4-5-12-13(6-9)25-8-24-12/h1-6H,7-8H2,(H2,19,22)
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 22: 4135-50 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50048362
PNG
(CHEMBL3309995)
Show SMILES Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
Show InChI InChI=1S/C17H14N6O2/c18-10-2-3-11-12(7-10)20-15(23-16(11)21-17(19)22-23)6-9-1-4-13-14(5-9)25-8-24-13/h1-5,7H,6,8,18H2,(H2,19,22)
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


Bioorg Med Chem 22: 4135-50 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50445475
PNG
(CHEMBL3104854)
Show SMILES Cc1c2COC(=O)c2c(O)c(O)c1O
Show InChI InChI=1S/C9H8O5/c1-3-4-2-14-9(13)5(4)7(11)8(12)6(3)10/h10-12H,2H2,1H3
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n/an/a 1.36E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


J Nat Prod 77: 49-56 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50445472
PNG
(CHEMBL3104852)
Show SMILES COC1OC(=O)c2c1c(C)c(O)c(O)c2O
Show InChI InChI=1S/C10H10O6/c1-3-4-5(7(12)8(13)6(3)11)9(14)16-10(4)15-2/h10-13H,1-2H3
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


J Nat Prod 77: 49-56 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50445471
PNG
(CHEMBL3104853)
Show SMILES COCc1c(C)c(O)c(O)c(O)c1C=O
Show InChI InChI=1S/C10H12O5/c1-5-7(4-15-2)6(3-11)9(13)10(14)8(5)12/h3,12-14H,4H2,1-2H3
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of NEK6 (unknown origin)


J Nat Prod 77: 49-56 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50350424
PNG
(CHEMBL454440)
Show SMILES Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12
Show InChI InChI=1S/C14H10O6/c1-5-11-10(4-8(17)13(5)18)20-9-3-6(15)2-7(16)12(9)14(11)19/h2-4,15-18H,1H3
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n/an/a 6.78E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK6 assessed as 33Pi incorporation after 60 mins by scintillation counting


Bioorg Med Chem 19: 4644-51 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50446566
PNG
(CHEMBL3109401)
Show SMILES CC(C)CC=Nc1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O
Show InChI InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h8,13-14,16,18,22,28-30H,7,9-12,15H2,1-6H3/t18-,22+,25-,26+/m0/s1
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n/an/a 9.08E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK6 (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay


J Nat Prod 77: 218-26 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50350423
PNG
(CHEMBL466154)
Show SMILES Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)4-10-12(6)14(18)13-9(17)3-8(16)5-11(13)19-10/h2-5,15-17H,1H3
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Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK6 assessed as 33Pi incorporation after 60 mins by scintillation counting


Bioorg Med Chem 19: 4644-51 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50446565
PNG
(CHEMBL3109402)
Show SMILES COc1cc2nc(C)oc2c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O
Show InChI InChI=1S/C24H33NO3/c1-14-8-7-9-20-23(14,4)11-10-15(2)24(20,5)13-17-21(26)19(27-6)12-18-22(17)28-16(3)25-18/h8,12,15,20,26H,7,9-11,13H2,1-6H3/t15-,20+,23-,24+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK6 (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay


J Nat Prod 77: 218-26 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens)
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for NEK6 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
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