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Compile Data Set for Download or QSAR

Found 107 hits of ic50 for UniProtKB: O60285   
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
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		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 |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
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n/an/a 1.30n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		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 |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
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n/an/a 1.30n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		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 |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
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TBA

Assay Description
Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR 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
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587681
PNG
(CHEMBL5176650)
Show SMILES CN(C)CCOc1ccc2c3c(ccc2c1)[nH]c1c(C)c[nH]c(=O)c31
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		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 |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
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n/an/a 1.40n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR 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
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587675
PNG
(CHEMBL4303523)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2Cl)c1
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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587675
PNG
(CHEMBL4303523)
Show SMILES CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2Cl)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50152595
PNG
(CHEMBL3780091)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
Show InChI InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of NUAK1 (unknown origin)

Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587679
PNG
(CHEMBL5199998)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(ncc12)S(C)(=O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587677
PNG
(CHEMBL5173501)
Show SMILES C[C@H]1CNC(=O)c2cnn3cc(N[C@H](C)c4cc(F)cc(O1)c4)cnc23 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50468574
PNG
(CHEMBL4116008 | US11414410, Example 100)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50536679
PNG
(CHEMBL4568087)
Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged NUAK1 expressed in baculovirus expression system by Adapta assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587683
PNG
(CHEMBL5196626)
Show SMILES Cc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN4CCCCC4)ccc3c21
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM17051
PNG
(BX-795 | BX-795, 3 | N-(3-{[5-iodo-4-({3-[(thiophe...)
Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
Show InChI InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged NUAK1 expressed in baculovirus expression system

Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50447512
PNG
(CHEMBL3115681)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)
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n/an/a 5n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of ARK5 (unknown origin)

J Med Chem 57: 578-99 (2014)


Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50447512
PNG
(CHEMBL3115681)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM86615
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C
Show InChI InChI=1S/C26H29N7O2/c1-17-15-18(9-10-19(17)25(35)33-13-11-30(2)12-14-33)28-26-27-16-22-23(29-26)31(3)21-8-6-5-7-20(21)24(34)32(22)4/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587672
PNG
(CHEMBL5192992)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cnn(c3)C3CCNCC3)nc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50055496
PNG
(CHEMBL3326006)
Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-
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n/an/a 8n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Nuak1 (unknown origin) by Off-chip Mobility Shift Assay

J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		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 |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
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n/an/a 8n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of ARK5 (unknown origin)

J Nat Prod 77: 49-56 (2014)


Article DOI: 10.1021/np4005745
BindingDB Entry DOI: 10.7270/Q2X63PDV
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50055496
PNG
(CHEMBL3326006)
Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-
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UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human NuaK1 (1 to 661 end residues) expressed in baculovirus expression system using fluorecence-labe...

J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587682
PNG
(CHEMBL5204647)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50511926
PNG
(CHEMBL4442620)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50536675
PNG
(CHEMBL4569508)
Show SMILES FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H26F3N5O2S/c27-26(28,29)17-31-25(35)23-12-19(16-37-23)22-14-32-34-15-20(13-30-24(22)34)18-4-6-21(7-5-18)36-11-10-33-8-2-1-3-9-33/h4-7,12-16H,1-3,8-11,17H2,(H,31,35)
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Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged NUAK1 expressed in baculovirus expression system by Adapta assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587673
PNG
(CHEMBL5175737)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc4CCC(=O)Nc4c3)nc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587670
PNG
(CHEMBL5202161)
Show SMILES CN1c2ccccc2C(=O)N(C)c2c(C)nc(Nc3cnn(c3)C3CCNCC3)nc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50536678
PNG
(CHEMBL4550702)
Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C17H13F3N6OS/c1-25-6-12(4-23-25)11-3-21-15-13(5-24-26(15)7-11)10-2-14(28-8-10)16(27)22-9-17(18,19)20/h2-8H,9H2,1H3,(H,22,27)
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n/an/a 19n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged NUAK1 expressed in baculovirus expression system by Adapta assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50598717
PNG
(CHEMBL5193702 | US20230348487, Example LS 6-45)
Show SMILES [H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2OC |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00922
BindingDB Entry DOI: 10.7270/Q2H1361P
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ARK5

J Med Chem 55: 4580-93 (2012)


Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587669
PNG
(CHEMBL5190521)
Show SMILES CN1c2cc3ccccc3cc2C(=O)N(C)c2cnc(Nc3cnn(c3)C3CCNCC3)nc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587674
PNG
(CHEMBL1643963)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3nc[nH]c3n2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587684
PNG
(CHEMBL5169640)
Show SMILES Fc1ccc(Cn2cnc3cc(Cl)c(Nc4cc([nH]n4)C4CC4)nc23)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50185140
PNG
(AP-26113 | Brigatinib | US11248003, Example Brigat...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50524300
PNG
(LY2606368 | Prexasertib | US11564920, Example Prex...)
Show SMILES COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587676
PNG
(CHEMBL5195181)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3cnn(c3)C3CCNCC3)ncc2Cl)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50469353
PNG
(CHEMBL4283353)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1
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UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human NuaK1 (1 to 661 end residues) expressed in baculovirus expression system using fluorecence-labe...

J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587671
PNG
(CHEMBL4303250)
Show SMILES CN1c2cc3ccccc3cc2C(=O)N(C)c2c(C)nc(Nc3cnn(c3)C3CCNCC3)nc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50553207
PNG
(CHEMBL4786783)
Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
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Assay Description
Inhibition of human NAUK1 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
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50585189
PNG
(CHEMBL5083125)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
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Assay Description
Inhibition of recombinant human ARK5 (2 to end residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33ATP...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50585204
PNG
(CHEMBL5085698)
Show SMILES C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
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Assay Description
Inhibition of recombinant human ARK5 (2 to end residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33ATP...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50536681
PNG
(CHEMBL4552628)
Show SMILES Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Show InChI InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1
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Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged NUAK1 expressed in baculovirus expression system by Adapta assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50585191
PNG
(CHEMBL5079149)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
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TBA

Assay Description
Inhibition of recombinant human ARK5 (2 to end residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33ATP...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50505988
PNG
(CHEMBL4482864)
Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged ARK5 expressed in baculovirus expression system

J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50587680
PNG
(CHEMBL5182271)
Show SMILES COCCN1CCN(CCn2ccc(Nc3ncc4-c5c(CC(C)c4n3)nn(C)c5-c3ccccc3)n2)CC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARK5 expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation counting

Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))		BDBM50441795
PNG
(CHEMBL2436172)
Show SMILES CC(C)n1c2-c3ccccc3C(=O)c2c2c(O)ccc(O)c12
Show InChI InChI=1S/C18H15NO3/c1-9(2)19-16-10-5-3-4-6-11(10)18(22)15(16)14-12(20)7-8-13(21)17(14)19/h3-9,20-21H,1-2H3
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The University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of human ARK5

Eur J Med Chem 69: 465-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QV3NXV
More data for this
Ligand-Target Pair
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