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Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'joy' and Initial = 'jk'   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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n/an/a 1n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170218
PNG
(CHEMBL3804952)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37)
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n/an/a 8n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170223
PNG
(CHEMBL3805330)
Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40)
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n/an/a 8n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170217
PNG
(CHEMBL3805114)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)19-21-5-6-22(18-25(21)27(28,29)30)32-26(35)17-20-3-7-23(8-4-20)36-24-9-11-31-12-10-24/h3-12,18H,2,13-17,19H2,1H3,(H,32,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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n/an/a 10n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170215
PNG
(CHEMBL3806261)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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 2


(Homo sapiens (Human))
BDBM50170171
PNG
(CHEMBL3805029)
Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33)
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n/an/a 12n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170216
PNG
(CHEMBL3805956)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-12-14-34(15-13-33)18-22-5-8-23(16-25(22)27(28,29)30)32-26(35)19-36-24-9-6-20(7-10-24)21-4-3-11-31-17-21/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,32,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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 2


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170219
PNG
(CHEMBL3805074)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-6-7-21(15-23(20)27(28,29)30)34-25(37)14-19-4-8-22(9-5-19)38-26-16-24(31-2)32-18-33-26/h4-9,15-16,18H,3,10-14,17H2,1-2H3,(H,34,37)(H,31,32,33)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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))
BDBM50170166
PNG
(CHEMBL3804921)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170168
PNG
(CHEMBL3805865)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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 2


(Homo sapiens (Human))
BDBM50170167
PNG
(CHEMBL3805891)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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 2


(Homo sapiens (Human))
BDBM50170174
PNG
(CHEMBL3804941)
Show SMILES CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170167
PNG
(CHEMBL3805891)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170223
PNG
(CHEMBL3805330)
Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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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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))
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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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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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))
BDBM50170172
PNG
(CHEMBL3806240)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1
Show InChI InChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170224
PNG
(CHEMBL3804972)
Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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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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))
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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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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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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170168
PNG
(CHEMBL3805865)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
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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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
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