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PubMed code 27011159

Compile data set for download or QSAR
Found 97 hits of Enzyme Inhibition Constant Data   
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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n/an/a 7n/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
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 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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n/an/a 10n/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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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))
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))
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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n/an/a 11n/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))
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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n/an/a 14n/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))
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
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
Tyrosine-protein kinase receptor 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
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
Tyrosine-protein kinase receptor 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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 21n/an/an/an/an/an/a



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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n/an/a 22n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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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n/an/a 24n/an/an/an/an/an/a



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))
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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n/an/a 32n/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))
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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n/an/a 33n/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))
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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n/an/a 44n/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
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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n/an/a 50n/an/an/an/an/an/a



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))
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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n/an/a 82n/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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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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n/an/a 89n/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
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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n/an/a 90n/an/an/an/an/an/a



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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n/an/a 100n/an/an/an/an/an/a



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))
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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n/an/a 130n/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))
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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n/an/a 130n/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
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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n/an/a 170n/an/an/an/an/an/a



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))
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 200n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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 ABL


(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 210n/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
Tyrosine-protein kinase ABL1


(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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n/an/a 240n/an/an/an/an/an/a



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
Fibroblast 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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n/an/a 272n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR2 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))
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 MNK1 kinase domain (37 to 341 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))
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 350n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
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 370n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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 ABL


(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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n/an/a 380n/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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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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n/an/a 390n/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 1


(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 510n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
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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n/an/a 540n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
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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n/an/a 570n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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 ABL


(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 580n/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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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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n/an/a 580n/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
Platelet-derived growth factor receptor


(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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n/an/a 672n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRalpha 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))
BDBM50170220
PNG
(CHEMBL3805094)
Show SMILES CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-5-4-19(14-23(20)27(28,29)30)15-25(37)34-21-6-8-22(9-7-21)38-26-16-24(31-2)32-18-33-26/h4-9,14,16,18H,3,10-13,15,17H2,1-2H3,(H,34,37)(H,31,32,33)
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n/an/a 760n/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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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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n/an/a 880n/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
Mast/stem cell growth factor receptor Kit


(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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n/an/a 888n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-KIT expressed in insect 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
Fibroblast 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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n/an/a 930n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR2 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
Platelet-derived growth factor receptor beta


(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 1.06E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta 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
Platelet-derived growth factor receptor beta


(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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n/an/a 1.08E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta 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
Cytochrome P450 3A


(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 1.10E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


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
Platelet-derived growth factor receptor


(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 1.28E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRalpha 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
Mast/stem cell growth factor receptor Kit


(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 1.51E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-KIT expressed in insect 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))
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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n/an/a 1.76E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
BDBM50170213
PNG
(CHEMBL3806141)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
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n/an/a 1.91E+3n/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
Cytochrome P450 3A


(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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n/an/a 2.40E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


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))
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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n/an/a 2.52E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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
Cytochrome P450 3A


(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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n/an/a 3.20E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


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))
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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n/an/a 3.69E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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 ABL


(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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n/an/a 3.88E+3n/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 1


(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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n/an/a 3.92E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
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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n/an/a 4.51E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
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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n/an/a 5.68E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
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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n/an/a 5.98E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
BDBM50170169
PNG
(CHEMBL3806302)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-22-4-8-23(16-25(22)29(30,31)32)35-27(38)19-40-24-9-5-20(6-10-24)21-7-11-26(34-17-21)28(39)33-2/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,33,39)(H,35,38)
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n/an/a 6.86E+3n/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))
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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n/an/a 7.70E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
BDBM50170214
PNG
(CHEMBL3805624)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
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n/an/a>1.00E+4n/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
Tyrosine-protein kinase ABL1


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



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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170213
PNG
(CHEMBL3806141)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
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n/an/a>1.00E+4n/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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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 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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170220
PNG
(CHEMBL3805094)
Show SMILES CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-5-4-19(14-23(20)27(28,29)30)15-25(37)34-21-6-8-22(9-7-21)38-26-16-24(31-2)32-18-33-26/h4-9,14,16,18H,3,10-13,15,17H2,1-2H3,(H,34,37)(H,31,32,33)
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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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170170
PNG
(CHEMBL3806022)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H31F3N4O2/c1-3-34-13-15-35(16-14-34)19-23-6-9-24(17-26(23)28(29,30)31)33-27(36)20(2)37-25-10-7-21(8-11-25)22-5-4-12-32-18-22/h4-12,17-18,20H,3,13-16,19H2,1-2H3,(H,33,36)
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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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50170173
PNG
(CHEMBL3805647)
Show SMILES CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N3O2/c1-2-34-14-11-20(12-15-34)16-22-5-8-24(17-26(22)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)23-4-3-13-32-18-23/h3-10,13,17-18,20H,2,11-12,14-16,19H2,1H3,(H,33,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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 ABL


(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 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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170169
PNG
(CHEMBL3806302)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-22-4-8-23(16-25(22)29(30,31)32)35-27(38)19-40-24-9-5-20(6-10-24)21-7-11-26(34-17-21)28(39)33-2/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,33,39)(H,35,38)
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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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50170214
PNG
(CHEMBL3805624)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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 ABL


(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 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 1


(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 MNK1 kinase domain (37 to 341 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 ABL


(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 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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170214
PNG
(CHEMBL3805624)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
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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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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 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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170173
PNG
(CHEMBL3805647)
Show SMILES CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N3O2/c1-2-34-14-11-20(12-15-34)16-22-5-8-24(17-26(22)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)23-4-3-13-32-18-23/h3-10,13,17-18,20H,2,11-12,14-16,19H2,1H3,(H,33,35)
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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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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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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 1


(Homo sapiens (Human))
BDBM50170220
PNG
(CHEMBL3805094)
Show SMILES CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-5-4-19(14-23(20)27(28,29)30)15-25(37)34-21-6-8-22(9-7-21)38-26-16-24(31-2)32-18-33-26/h4-9,14,16,18H,3,10-13,15,17H2,1-2H3,(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 MNK1 kinase domain (37 to 341 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))
BDBM50170213
PNG
(CHEMBL3806141)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
BDBM50170173
PNG
(CHEMBL3805647)
Show SMILES CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N3O2/c1-2-34-14-11-20(12-15-34)16-22-5-8-24(17-26(22)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)23-4-3-13-32-18-23/h3-10,13,17-18,20H,2,11-12,14-16,19H2,1H3,(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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(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 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))
BDBM50170170
PNG
(CHEMBL3806022)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H31F3N4O2/c1-3-34-13-15-35(16-14-34)19-23-6-9-24(17-26(23)28(29,30)31)33-27(36)20(2)37-25-10-7-21(8-11-25)22-5-4-12-32-18-22/h4-12,17-18,20H,3,13-16,19H2,1-2H3,(H,33,36)
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n/an/a>1.00E+4n/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))
BDBM50170169
PNG
(CHEMBL3806302)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-22-4-8-23(16-25(22)29(30,31)32)35-27(38)19-40-24-9-5-20(6-10-24)21-7-11-26(34-17-21)28(39)33-2/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,33,39)(H,35,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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))
BDBM50170170
PNG
(CHEMBL3806022)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H31F3N4O2/c1-3-34-13-15-35(16-14-34)19-23-6-9-24(17-26(23)28(29,30)31)33-27(36)20(2)37-25-10-7-21(8-11-25)22-5-4-12-32-18-22/h4-12,17-18,20H,3,13-16,19H2,1-2H3,(H,33,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 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
Cytochrome P450 2D6 (2D6)


(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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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(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 CYP2D6 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(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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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 3A


(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 CYP3A4 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(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 CYP2D6 (unknown origin)


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
Cytochrome P450 3A


(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 CYP3A4 (unknown origin)


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
Cytochrome P450 2D6 (2D6)


(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 CYP2D6 (unknown origin)


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
* indicates data uncertainty>20%