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Compile Data Set for Download or QSAR

Found 83 hits of ic50 for UniProtKB: Q16512   
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 N1


(Homo sapiens (Human))		BDBM199250
PNG
(US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...)
Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
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n/an/a<1n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of PKN1 (unknown origin)

Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(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 1n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of PRK1 (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
Serine/threonine-protein kinase N1


(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 1.20n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PKN1 (unknown origin) incubated for 1 hr by spectrophotometric analysis

Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(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 3.80n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human PKN1 using KKLNRTLSVA 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 N1


(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 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PKN1 using KKLNRTLSVA 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 N1


(Homo sapiens (Human))		BDBM50324316
PNG
(CHEMBL1214929 | N*1*-(3-Pyridin-4-yl[2,6]naphthyri...)
Show SMILES NCCNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C15H15N5/c16-4-8-19-15-13-3-7-18-10-12(13)9-14(20-15)11-1-5-17-6-2-11/h1-3,5-7,9-10H,4,8,16H2,(H,19,20)
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n/an/a 7n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50391898
PNG
(CHEMBL2147538)
Show SMILES CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
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n/an/a 35n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028033
PNG
(CHEMBL3338837 | US11458138, Example 312)
Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)
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n/an/a 99n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596594
PNG
(CHEMBL5182936)
Show SMILES CCCn1c2CCNC(=O)c2cc1-c1ccncc1
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n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM27400
PNG
(1-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,...)
Show SMILES CCn1c2CCNC(=O)c2cc1-c1ccncc1
Show InChI InChI=1S/C14H15N3O/c1-2-17-12-5-8-16-14(18)11(12)9-13(17)10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,18)
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n/an/a 210n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(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 250n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human GST-tagged PKN1 expressed in baculovirus expression system by Z'-LYTE 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
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		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 300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50363167
PNG
(CHEMBL1945559)
Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)
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n/an/a 310n/an/an/an/an/an/a



Ludwig-Maximilians University of Munich

Curated by ChEMBL


Assay Description
Inhibition of PKN1 using ATP as substrate

J Med Chem 55: 403-13 (2012)


Article DOI: 10.1021/jm201286z
BindingDB Entry DOI: 10.7270/Q20G3KK7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM27401
PNG
(1-(2-hydroxyethyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H...)
Show SMILES OCCn1c2CCNC(=O)c2cc1-c1ccncc1
Show InChI InChI=1S/C14H15N3O2/c18-8-7-17-12-3-6-16-14(19)11(12)9-13(17)10-1-4-15-5-2-10/h1-2,4-5,9,18H,3,6-8H2,(H,16,19)
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n/an/a 440n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596601
PNG
(CHEMBL5175087)
Show SMILES O=C1NC(Cc2[nH]c(cc12)-c1ccncc1)c1ccccc1
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n/an/a 520n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028034
PNG
(CHEMBL3338838)
Show SMILES CC(C)(N)CNc1nc(nc2cnccc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H19N7/c1-18(2,19)10-21-17-13-5-6-20-9-15(13)23-16(24-17)11-3-4-14-12(7-11)8-22-25-14/h3-9H,10,19H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a 547n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028036
PNG
(CHEMBL3338840)
Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H18N6/c1-2-4-17-15(3-1)19(25-9-7-20-8-10-25)23-18(22-17)13-5-6-16-14(11-13)12-21-24-16/h1-6,11-12,20H,7-10H2,(H,21,24)
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n/an/a 990n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028035
PNG
(CHEMBL3338839)
Show SMILES C1CN(CCN1)c1nc(nc2cnccc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H17N7/c1-2-15-13(10-21-24-15)9-12(1)17-22-16-11-20-4-3-14(16)18(23-17)25-7-5-19-6-8-25/h1-4,9-11,19H,5-8H2,(H,21,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028032
PNG
(CHEMBL3338844)
Show SMILES CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H20N6/c1-25-8-10-26(11-9-25)20-16-4-2-3-5-18(16)22-19(23-20)14-6-7-17-15(12-14)13-21-24-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028029
PNG
(CHEMBL3338841)
Show SMILES C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H19N5/c1-2-4-17-14(3-1)12-19(23-20(17)25-9-7-21-8-10-25)15-5-6-18-16(11-15)13-22-24-18/h1-6,11-13,21H,7-10H2,(H,22,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028030
PNG
(CHEMBL3338842)
Show SMILES NCCNc1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H16N6/c18-7-8-19-17-13-3-1-2-4-15(13)21-16(22-17)11-5-6-14-12(9-11)10-20-23-14/h1-6,9-10H,7-8,18H2,(H,20,23)(H,19,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50028031
PNG
(CHEMBL3338843)
Show SMILES NCCCNc1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H18N6/c19-8-3-9-20-18-14-4-1-2-5-16(14)22-17(23-18)12-6-7-15-13(10-12)11-21-24-15/h1-2,4-7,10-11H,3,8-9,19H2,(H,21,24)(H,20,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)

Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127040
BindingDB Entry DOI: 10.7270/Q2SJ1Q61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596600
PNG
(CHEMBL5202568)
Show SMILES O=C1CCCc2[nH]c(cc12)-c1ccncc1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C related kinase 1 (PRK1)

J Med Chem 46: 1478-83 (2003)


Article DOI: 10.1021/jm020427b
BindingDB Entry DOI: 10.7270/Q2R78FZT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596595
PNG
(CHEMBL5187643)
Show SMILES CC(C)n1c2CCNC(=O)c2cc1-c1ccncc1
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n/an/a 1.84E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50157880
PNG
(CHEMBL3787112)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Show InChI InChI=1S/C20H23N5O/c21-19-18-17(14-3-1-4-16(26)9-14)11-25(20(18)23-12-22-19)15-7-13(8-15)10-24-5-2-6-24/h1,3-4,9,11-13,15,26H,2,5-8,10H2,(H2,21,22,23)/t13-,15+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKN1 (unknown origin) in presence of [gamma33P]ATP

Bioorg Med Chem Lett 26: 2057-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.075
BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596596
PNG
(CHEMBL5170263)
Show SMILES O=C1NCCc2c1cc(-c1ccncc1)n2Cc1ccccc1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(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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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human GST-tagged PKN1 expressed in baculovirus expression system by Z'-LYTE 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
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50545113
PNG
(CHEMBL4647033)
Show SMILES NC(=O)c1cc(Br)cc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H9BrN4O/c14-8-5-9(12(15)19)11-10(6-8)17-13(18-11)7-1-3-16-4-2-7/h1-6H,(H2,15,19)(H,17,18)
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n/an/a 4.45E+3n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127040
BindingDB Entry DOI: 10.7270/Q2SJ1Q61
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		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 |r|
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 4.48E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of PRK1 (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
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM27394
PNG
(1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES Cn1c2CCNC(=O)c2cc1-c1ccncc1
Show InChI InChI=1S/C13H13N3O/c1-16-11-4-7-15-13(17)10(11)8-12(16)9-2-5-14-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,15,17)
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKN1 (unknown origin)

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM27381
PNG
(2-(pyridin-3-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1cccnc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-6-11(8-2-1-4-13-7-8)15-10(9)3-5-14-12/h1-2,4,6-7,15H,3,5H2,(H,14,16)
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596597
PNG
(CHEMBL5182853)
Show SMILES CCn1c2CCN(C)C(=O)c2cc1-c1ccncc1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596599
PNG
(CHEMBL5187274)
Show SMILES C1Cc2[nH]c(cc2CN1)-c1ccncc1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50596598
PNG
(CHEMBL5176291)
Show SMILES CCCN1CCc2c(cc(-c3ccncc3)n2CC)C1=O
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128588
BindingDB Entry DOI: 10.7270/Q25D8WV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		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 5.80E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of PRK1 (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
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKN1 by radiometric kinase assay

J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		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 9.00E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of PRK1 (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
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50158429
PNG
(CHEMBL3785500)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Show InChI InChI=1S/C27H33N5O2/c28-25-24-23(19-3-1-4-22(13-19)33-16-27-7-5-21(34-27)6-8-27)15-32(26(24)30-17-29-25)20-11-18(12-20)14-31-9-2-10-31/h1,3-4,13,15,17-18,20-21H,2,5-12,14,16H2,(H2,28,29,30)/t18-,20+,21?,27?
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n/an/a 9.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKN1 (unknown origin) in presence of [gamma33P]ATP

Bioorg Med Chem Lett 26: 2057-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.075
BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKN1

J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50335374
PNG
((3S,9S)-9,16-dihydroxy-14-methoxy-3-methyl-3,4,9,1...)
Show SMILES COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
Show InChI InChI=1S/C19H24O6/c1-12-5-3-7-14(20)10-15(21)8-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h3,7,9,11-12,15,21-22H,4-6,8,10H2,1-2H3/t12-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKN1 by Caliper mobility shift assay

ACS Med Chem Lett 2: 22-27 (2011)


Article DOI: 10.1021/ml1001807
BindingDB Entry DOI: 10.7270/Q2542NWT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50156383
PNG
(CHEMBL3785951)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C27H33FN6O3/c1-17(35)32-6-8-33(9-7-32)18-11-19(12-18)34-14-23(25-26(29)30-16-31-27(25)34)22-13-20(4-5-24(22)28)37-15-21-3-2-10-36-21/h4-5,13-14,16,18-19,21H,2-3,6-12,15H2,1H3,(H2,29,30,31)/t18-,19+,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKN1 (unknown origin) in presence of [gamma33P]ATP

Bioorg Med Chem Lett 26: 2057-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.075
BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50157628
PNG
(CHEMBL3786167)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C27H33FN6O3/c1-17(35)32-7-9-33(10-8-32)18-12-19(13-18)34-14-22(24-26(29)30-16-31-27(24)34)21-5-2-6-23(25(21)28)37-15-20-4-3-11-36-20/h2,5-6,14,16,18-20H,3-4,7-13,15H2,1H3,(H2,29,30,31)/t18-,19+,20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKN1 (unknown origin) in presence of [gamma33P]ATP

Bioorg Med Chem Lett 26: 2057-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.075
BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKN1 by Caliper mobility shift assay

ACS Med Chem Lett 2: 22-27 (2011)


Article DOI: 10.1021/ml1001807
BindingDB Entry DOI: 10.7270/Q2542NWT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		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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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human PKN1 using [KKLNRTLSVA] 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 N1


(Homo sapiens (Human))		BDBM50519662
PNG
(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)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1 V901I (498 to end residues) using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma33P]ATP ...

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 N1


(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 1.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GST-tagged PKN1 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
Serine/threonine-protein kinase N1


(Homo sapiens (Human))		BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKN1

Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
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