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Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'ong' and Initial = 'ts'   
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
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50102161
PNG
(1-{2-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-2-ox...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C29H27Cl2FN6O3S/c1-41-28-33-14-20(15-34-28)12-21-16-38(29(35-27(21)40)42-18-19-2-4-22(32)5-3-19)17-26(39)37-10-8-36(9-11-37)23-6-7-24(30)25(31)13-23/h2-7,13-16H,8-12,17-18H2,1H3
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n/an/a 8n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Lp-PLA2


Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50102161
PNG
(1-{2-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-2-ox...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C29H27Cl2FN6O3S/c1-41-28-33-14-20(15-34-28)12-21-16-38(29(35-27(21)40)42-18-19-2-4-22(32)5-3-19)17-26(39)37-10-8-36(9-11-37)23-6-7-24(30)25(31)13-23/h2-7,13-16H,8-12,17-18H2,1H3
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National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2


Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375523
PNG
(4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C27H26N6O/c1-31(2)23-13-15-32(16-14-23)27(34)22-9-7-20(8-10-22)24-11-12-26-29-18-25(33(26)30-24)21-5-3-19(17-28)4-6-21/h3-12,18,23H,13-16H2,1-2H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375523
PNG
(4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C27H26N6O/c1-31(2)23-13-15-32(16-14-23)27(34)22-9-7-20(8-10-22)24-11-12-26-29-18-25(33(26)30-24)21-5-3-19(17-28)4-6-21/h3-12,18,23H,13-16H2,1-2H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375525
PNG
(4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375513
PNG
((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C25H22N6O/c1-29-12-14-30(15-13-29)25(32)21-8-6-19(7-9-21)22-10-11-24-27-17-23(31(24)28-22)20-4-2-18(16-26)3-5-20/h2-11,17H,12-15H2,1H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase


Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375522
PNG
(4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375513
PNG
((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C25H22N6O/c1-29-12-14-30(15-13-29)25(32)21-8-6-19(7-9-21)22-10-11-24-27-17-23(31(24)28-22)20-4-2-18(16-26)3-5-20/h2-11,17H,12-15H2,1H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375525
PNG
(4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455538
PNG
(CHEMBL4214092)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C25H24N6O3/c1-29-10-12-30(13-11-29)25(33)20-8-2-17(3-9-20)21-16-31-22(14-27-23(31)15-26-21)18-4-6-19(7-5-18)24(32)28-34/h2-9,14-16,34H,10-13H2,1H3,(H,28,32)
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375522
PNG
(4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50455538
PNG
(CHEMBL4214092)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C25H24N6O3/c1-29-10-12-30(13-11-29)25(33)20-8-2-17(3-9-20)21-16-31-22(14-27-23(31)15-26-21)18-4-6-19(7-5-18)24(32)28-34/h2-9,14-16,34H,10-13H2,1H3,(H,28,32)
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375544
PNG
(4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375543
PNG
(4-(6-(4-(4-Methylpiperazine-1-carbonyl)phenyl)imid...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C26H23N5O/c1-29-12-14-30(15-13-29)26(32)22-8-6-20(7-9-22)23-10-11-25-28-17-24(31(25)18-23)21-4-2-19(16-27)3-5-21/h2-11,17-18H,12-15H2,1H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375543
PNG
(4-(6-(4-(4-Methylpiperazine-1-carbonyl)phenyl)imid...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C26H23N5O/c1-29-12-14-30(15-13-29)26(32)22-8-6-20(7-9-22)23-10-11-25-28-17-24(31(25)18-23)21-4-2-19(16-27)3-5-21/h2-11,17-18H,12-15H2,1H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375544
PNG
(4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375315
PNG
((4-(3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H20N4O3/c28-19-7-5-17(6-8-19)21-13-25-22-14-24-20(15-27(21)22)16-1-3-18(4-2-16)23(29)26-9-11-30-12-10-26/h1-8,13-15,28H,9-12H2
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n/an/a 113n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50193715
PNG
((2Z)-{[(morpholin-4-ylcarbonyl)oxy]imino}(phenyl)a...)
Show SMILES O=C(O\N=C(/C#N)c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C13H13N3O3/c14-10-12(11-4-2-1-3-5-11)15-19-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2/b15-12+
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n/an/a 120n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human Low density lipoprotein-associated phospholipase A2


Bioorg Med Chem Lett 16: 5576-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.031
BindingDB Entry DOI: 10.7270/Q2TM79RH
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375315
PNG
((4-(3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H20N4O3/c28-19-7-5-17(6-8-19)21-13-25-22-14-24-20(15-27(21)22)16-1-3-18(4-2-16)23(29)26-9-11-30-12-10-26/h1-8,13-15,28H,9-12H2
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n/an/a 125n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM375315
PNG
((4-(3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H20N4O3/c28-19-7-5-17(6-8-19)21-13-25-22-14-24-20(15-27(21)22)16-1-3-18(4-2-16)23(29)26-9-11-30-12-10-26/h1-8,13-15,28H,9-12H2
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n/an/a 130n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 140n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 1


Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 140n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375313
PNG
((4-(3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H23N5O2/c1-27-10-12-28(13-11-27)24(31)19-4-2-17(3-5-19)21-16-29-22(14-26-23(29)15-25-21)18-6-8-20(30)9-7-18/h2-9,14-16,30H,10-13H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 140n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1


Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM375353
PNG
(4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H26N6O/c1-31(2)23-11-13-32(14-12-23)27(34)22-9-7-20(8-10-22)24-18-33-25(16-30-26(33)17-29-24)21-5-3-19(15-28)4-6-21/h3-10,16-18,23H,11-14H2,1-2H3
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n/an/a 143n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455541
PNG
(CHEMBL4208890)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23N5O3/c1-17(31)28-10-12-29(13-11-28)25(33)20-4-2-18(3-5-20)22-16-30-23(14-27-24(30)15-26-22)19-6-8-21(32)9-7-19/h2-9,14-16,32H,10-13H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 170n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2


Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50150482
PNG
(Acetic acid 3-acetoxy-4-acetoxymethyl-12-hydroxy-4...)
Show SMILES CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O |t:14,23|
Show InChI InChI=1S/C31H35NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11,13-14,20,22-23,27H,9-10,12,15H2,1-6H3
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n/an/a 170n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase


Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 170n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 170n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 2


Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455545
PNG
(CHEMBL4204506)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C25H24N6O2/c1-29-10-12-30(13-11-29)25(33)20-8-2-17(3-9-20)21-16-31-22(14-28-23(31)15-27-21)18-4-6-19(7-5-18)24(26)32/h2-9,14-16H,10-13H2,1H3,(H2,26,32)
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n/an/a 187n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM375313
PNG
((4-(3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H23N5O2/c1-27-10-12-28(13-11-27)24(31)19-4-2-17(3-5-19)21-16-29-22(14-26-23(29)15-25-21)18-6-8-20(30)9-7-18/h2-9,14-16,30H,10-13H2,1H3
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n/an/a 189n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455540
PNG
(CHEMBL4212480)
Show SMILES NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N4O2/c20-19(25)14-3-1-12(2-4-14)16-11-23-17(9-22-18(23)10-21-16)13-5-7-15(24)8-6-13/h1-11,24H,(H2,20,25)
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455543
PNG
(CHEMBL4211757)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O/c1-28-10-12-29(13-11-28)24(31)19-4-2-17(3-5-19)21-16-30-22(14-27-23(30)15-26-21)18-6-8-20(25)9-7-18/h2-9,14-16H,10-13H2,1H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM375525
PNG
(4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2
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n/an/a 220n/an/an/an/an/an/a



Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50455541
PNG
(CHEMBL4208890)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23N5O3/c1-17(31)28-10-12-29(13-11-28)25(33)20-4-2-18(3-5-20)22-16-30-23(14-27-24(30)15-26-22)19-6-8-21(32)9-7-19/h2-9,14-16,32H,10-13H2,1H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM375543
PNG
(4-(6-(4-(4-Methylpiperazine-1-carbonyl)phenyl)imid...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C26H23N5O/c1-29-12-14-30(15-13-29)26(32)22-8-6-20(7-9-22)23-10-11-25-28-17-24(31(25)18-23)21-4-2-19(16-27)3-5-21/h2-11,17-18H,12-15H2,1H3
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Assay Description
Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375353
PNG
(4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H26N6O/c1-31(2)23-11-13-32(14-12-23)27(34)22-9-7-20(8-10-22)24-18-33-25(16-30-26(33)17-29-24)21-5-3-19(15-28)4-6-21/h3-10,16-18,23H,11-14H2,1-2H3
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Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375313
PNG
((4-(3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H23N5O2/c1-27-10-12-28(13-11-27)24(31)19-4-2-17(3-5-19)21-16-29-22(14-26-23(29)15-25-21)18-6-8-20(30)9-7-18/h2-9,14-16,30H,10-13H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50455545
PNG
(CHEMBL4204506)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C25H24N6O2/c1-29-10-12-30(13-11-29)25(33)20-8-2-17(3-9-20)21-16-31-22(14-28-23(31)15-27-21)18-4-6-19(7-5-18)24(26)32/h2-9,14-16H,10-13H2,1H3,(H2,26,32)
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Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50455540
PNG
(CHEMBL4212480)
Show SMILES NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N4O2/c20-19(25)14-3-1-12(2-4-14)16-11-23-17(9-22-18(23)10-21-16)13-5-7-15(24)8-6-13/h1-11,24H,(H2,20,25)
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Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM375544
PNG
(4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
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Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM375513
PNG
((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C25H22N6O/c1-29-12-14-30(15-13-29)25(32)21-8-6-19(7-9-21)22-10-11-24-27-17-23(31(24)28-22)20-4-2-18(16-26)3-5-20/h2-11,17H,12-15H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50455543
PNG
(CHEMBL4211757)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O/c1-28-10-12-29(13-11-28)24(31)19-4-2-17(3-5-19)21-16-30-22(14-27-23(30)15-26-21)18-6-8-20(25)9-7-18/h2-9,14-16H,10-13H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455548
PNG
(CHEMBL4202593)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)F
Show InChI InChI=1S/C25H23F2N5O/c1-30-10-12-31(13-11-30)25(33)20-8-2-17(3-9-20)21-16-32-22(14-29-23(32)15-28-21)18-4-6-19(7-5-18)24(26)27/h2-9,14-16,24H,10-13H2,1H3
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Agency for Science, Technology and Research (A*STAR)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455539
PNG
(CHEMBL4217366)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H23N5O3/c1-28-10-12-29(13-11-28)24(31)19-6-2-17(3-7-19)21-16-30-22(14-27-23(30)15-26-21)18-4-8-20(9-5-18)25(32)33/h2-9,14-16H,10-13H2,1H3,(H,32,33)
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Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50455548
PNG
(CHEMBL4202593)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)F
Show InChI InChI=1S/C25H23F2N5O/c1-30-10-12-31(13-11-30)25(33)20-8-2-17(3-9-20)21-16-32-22(14-29-23(32)15-28-21)18-4-6-19(7-5-18)24(26)27/h2-9,14-16,24H,10-13H2,1H3
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Assay Description
Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455551
PNG
(CHEMBL4212200)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O/c1-31-10-12-32(13-11-31)24(34)19-4-2-17(3-5-19)21-16-33-22(14-30-23(33)15-29-21)18-6-8-20(9-7-18)25(26,27)28/h2-9,14-16H,10-13H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50455544
PNG
(CHEMBL4212307)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H25N5O/c1-18-3-5-20(6-4-18)23-15-27-24-16-26-22(17-30(23)24)19-7-9-21(10-8-19)25(31)29-13-11-28(2)12-14-29/h3-10,15-17H,11-14H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...


J Med Chem 61: 4348-4369 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01714
BindingDB Entry DOI: 10.7270/Q20004P7
More data for this
Ligand-Target Pair
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