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PubMed code 19414255

Compile data set for download or QSAR
Found 58 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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26668
PNG
(CHEMBL494360 | N-cyclohexyl-3-[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCCC3)nn12
Show InChI InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)
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11n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258853
PNG
(CHEMBL468940 | N-cyclopropyl-3-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C15H12F3N5/c16-15(17,18)10-3-1-2-9(8-10)14-21-20-13-7-6-12(22-23(13)14)19-11-4-5-11/h1-3,6-8,11H,4-5H2,(H,19,22)
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18n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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21n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26697
PNG
(7-chloro-9-ethyl-6-fluoro-1H,3H,4H,9H-quinolino[2,...)
Show SMILES CCn1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12
Show InChI InChI=1S/C12H8ClFN2O3/c1-2-16-8-4-6(13)7(14)3-5(8)10(17)9-11(16)15-19-12(9)18/h3-4,17H,2H2,1H3
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22n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258285
PNG
(CHEMBL493168 | N-(tetrahydro-2H-pyran-4-yl)-3-(3-(...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCOCC3)nn12
Show InChI InChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-11(10-12)16-23-22-15-5-4-14(24-25(15)16)21-13-6-8-26-9-7-13/h1-5,10,13H,6-9H2,(H,21,24)
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44n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258425
PNG
(CHEMBL494222 | N-cyclohexyl-N-methyl-3-(3-(trifluo...)
Show SMILES CN(C1CCCCC1)c1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H20F3N5/c1-26(15-8-3-2-4-9-15)17-11-10-16-23-24-18(27(16)25-17)13-6-5-7-14(12-13)19(20,21)22/h5-7,10-12,15H,2-4,8-9H2,1H3
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49n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258858
PNG
(CHEMBL450568 | N-(cyclopropylmethyl)-3-(3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NCC3CC3)nn12
Show InChI InChI=1S/C16H14F3N5/c17-16(18,19)12-3-1-2-11(8-12)15-22-21-14-7-6-13(23-24(14)15)20-9-10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,20,23)
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50n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258284
PNG
(CHEMBL494196 | N-cyclobutyl-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCC3)nn12
Show InChI InChI=1S/C16H14F3N5/c17-16(18,19)11-4-1-3-10(9-11)15-22-21-14-8-7-13(23-24(14)15)20-12-5-2-6-12/h1,3-4,7-9,12H,2,5-6H2,(H,20,23)
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54n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258286
PNG
(CHEMBL522497 | N-(piperidin-3-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCNC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-4-1-3-11(9-12)16-24-23-15-7-6-14(25-26(15)16)22-13-5-2-8-21-10-13/h1,3-4,6-7,9,13,21H,2,5,8,10H2,(H,22,25)
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94n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258426
PNG
(CHEMBL521850 | N-methyl-N-(1-methylpiperidin-4-yl)...)
Show SMILES CN(C1CCN(C)CC1)c1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H21F3N6/c1-26-10-8-15(9-11-26)27(2)17-7-6-16-23-24-18(28(16)25-17)13-4-3-5-14(12-13)19(20,21)22/h3-7,12,15H,8-11H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258327
PNG
(CHEMBL493561 | N-(1-methylpiperidin-4-yl)-3-(3-(tr...)
Show SMILES CN1CCC(CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C18H19F3N6/c1-26-9-7-14(8-10-26)22-15-5-6-16-23-24-17(27(16)25-15)12-3-2-4-13(11-12)18(19,20)21/h2-6,11,14H,7-10H2,1H3,(H,22,25)
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160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258779
PNG
(CHEMBL467665 | N-cyclopropyl-3-(4-fluorophenyl)-[1...)
Show SMILES Fc1ccc(cc1)-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C14H12FN5/c15-10-3-1-9(2-4-10)14-18-17-13-8-7-12(19-20(13)14)16-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,16,19)
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210n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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230n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258854
PNG
(CHEMBL451964 | N-cyclopropyl-3-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C15H12F3N5/c16-15(17,18)10-3-1-9(2-4-10)14-21-20-13-8-7-12(22-23(13)14)19-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,22)
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320n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258857
PNG
(CHEMBL512095 | N-cyclopropyl-3-(3-methoxyphenyl)-[...)
Show SMILES COc1cccc(c1)-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C15H15N5O/c1-21-12-4-2-3-10(9-12)15-18-17-14-8-7-13(19-20(14)15)16-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,16,19)
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410n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258856
PNG
(CHEMBL468941 | N-cyclopropyl-3-(3-fluorophenyl)-[1...)
Show SMILES Fc1cccc(c1)-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C14H12FN5/c15-10-3-1-2-9(8-10)14-18-17-13-7-6-12(19-20(13)14)16-11-4-5-11/h1-3,6-8,11H,4-5H2,(H,16,19)
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430n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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800n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Aurora 2 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258811
PNG
(CHEMBL468097 | N-cyclopropyl-3-(4-methoxyphenyl)-[...)
Show SMILES COc1ccc(cc1)-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C15H15N5O/c1-21-12-6-2-10(3-7-12)15-18-17-14-9-8-13(19-20(14)15)16-11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,16,19)
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980n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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1.80E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258812
PNG
(CHEMBL468297 | N-cyclopropyl-3-phenyl-[1,2,4]triaz...)
Show SMILES C1CC1Nc1ccc2nnc(-c3ccccc3)n2n1
Show InChI InChI=1S/C14H13N5/c1-2-4-10(5-3-1)14-17-16-13-9-8-12(18-19(13)14)15-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,15,18)
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1.80E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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2.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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2.90E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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3.10E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258855
PNG
(CHEMBL512829 | N-cyclopropyl-3-(2-fluorophenyl)-[1...)
Show SMILES Fc1ccccc1-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C14H12FN5/c15-11-4-2-1-3-10(11)14-18-17-13-8-7-12(19-20(13)14)16-9-5-6-9/h1-4,7-9H,5-6H2,(H,16,19)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258813
PNG
(CHEMBL513682 | N-cyclopropyl-3-(2-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccccc1-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C15H12F3N5/c16-15(17,18)11-4-2-1-3-10(11)14-21-20-13-8-7-12(22-23(13)14)19-9-5-6-9/h1-4,7-9H,5-6H2,(H,19,22)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50258780
PNG
(CHEMBL511745 | N-cyclopropyl-3-(2-methoxyphenyl)-[...)
Show SMILES COc1ccccc1-c1nnc2ccc(NC3CC3)nn12
Show InChI InChI=1S/C15H15N5O/c1-21-12-5-3-2-4-11(12)15-18-17-14-9-8-13(19-20(14)15)16-10-6-7-10/h2-5,8-10H,6-7H2,1H3,(H,16,19)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of COT (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
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))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of MAP3K7 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
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))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26626
PNG
((5Z)-5-{[3-(trifluoromethyl)phenyl]methylidene}-1,...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)C(F)(F)F |w:7.8,t:1|
Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)
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n/an/a 24n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
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n/an/a 50n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM11835
PNG
(1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-a]py...)
Show SMILES CC(=O)c1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12
Show InChI InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
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n/an/a 61n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM23408
PNG
(2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
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n/an/a 340n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%