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Compile Data Set for Download or QSAR

Found 171 hits Enz. Inhib. hit(s) with Target = 'Protein kinase N1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
Show InChI InChI=1/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+/s2
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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
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
Show InChI InChI=1/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+/s2
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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
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
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
Protein kinase N1


(Homo sapiens (Human))
BDBM50028033
PNG
(CHEMBL3338837)
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
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=1/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
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
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
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
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
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
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
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
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
Protein kinase N1


(Homo sapiens (Human))
BDBM50157880
PNG
(CHEMBL3787112)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1
Show InChI InChI=1/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
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
Show InChI InChI=1/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+/s2
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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
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
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
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
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
Show InChI InChI=1/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
Protein kinase N1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
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
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
Show InChI InChI=1/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/b7-3-/t12-,15-/s2
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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
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
Show InChI InChI=1/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-/s2
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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
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
Show InChI InChI=1/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-/s2
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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
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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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
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
Show InChI InChI=1/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?/s2
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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
Protein kinase N1


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12
Show InChI InChI=1/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-/s2
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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
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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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
Protein kinase N1


(Homo sapiens (Human))
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 1.86E+4n/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
Protein kinase N1


(Homo sapiens (Human))
BDBM50445472
PNG
(CHEMBL3104852)
Show SMILES COC1OC(=O)c2c1c(C)c(O)c(O)c2O
Show InChI InChI=1/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 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
Protein kinase N1


(Homo sapiens (Human))
BDBM50182493
PNG
(CHEMBL3818247 | US9512121, 22)
Show SMILES CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
Show InChI InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3
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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
Protein kinase N1


(Homo sapiens (Human))
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 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
Protein kinase N1


(Homo sapiens (Human))
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 4.53E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PRK1 assessed as 33Pi incorporation after 60 mins by scintillation counting


Bioorg Med Chem 19: 4644-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.013
BindingDB Entry DOI: 10.7270/Q2X92BNH
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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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n/an/a 5.49E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PRK1 assessed as 33Pi incorporation after 60 mins by scintillation counting


Bioorg Med Chem 19: 4644-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.013
BindingDB Entry DOI: 10.7270/Q2X92BNH
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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+/s2
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Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PRK1 (unknown origin) using casein as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric ...


J Nat Prod 77: 218-26 (2014)


Article DOI: 10.1021/np400633m
BindingDB Entry DOI: 10.7270/Q24F1S7C
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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/b27-13-/t18-,22+,25-,26+/s2
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Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PRK1 (unknown origin) using casein as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric ...


J Nat Prod 77: 218-26 (2014)


Article DOI: 10.1021/np400633m
BindingDB Entry DOI: 10.7270/Q24F1S7C
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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-/s2
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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+/s2
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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+/s2
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Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PRK1 (unknown origin) using casein as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric ...


J Nat Prod 77: 218-26 (2014)


Article DOI: 10.1021/np400633m
BindingDB Entry DOI: 10.7270/Q24F1S7C
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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-/s2
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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 PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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-/s2
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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 PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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-/s2
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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 PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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-/s2
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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 PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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+/s2
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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 PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
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=1/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-/s2
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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 PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
PKN1


(Homo sapiens (Human))
BDBM25118
PNG
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
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n/an/an/a 180n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1074/jbc.M111.280362
BindingDB Entry DOI: 10.7270/Q2T43RGZ
More data for this
Ligand-Target Pair
PKN1


(Homo sapiens (Human))
BDBM31099
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)
Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1
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n/an/an/a 3.50E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1074/jbc.M111.280362
BindingDB Entry DOI: 10.7270/Q2T43RGZ
More data for this
Ligand-Target Pair
PKN1


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21
Show InChI InChI=1/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/s2
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n/an/an/a 350n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1074/jbc.M111.280362
BindingDB Entry DOI: 10.7270/Q2T43RGZ
More data for this
Ligand-Target Pair
PKN1


(Homo sapiens (Human))
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
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n/an/an/a 9.30n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1074/jbc.M111.280362
BindingDB Entry DOI: 10.7270/Q2T43RGZ
More data for this
Ligand-Target Pair
PKN1


(Homo sapiens (Human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1074/jbc.M111.280362
BindingDB Entry DOI: 10.7270/Q2T43RGZ
More data for this
Ligand-Target Pair
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