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Compile Data Set for Download or QSAR

Found 327 hits Enz. Inhib. hit(s) with all data for entry = 8861   
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-3


(Homo sapiens (Human))
BDBM377185
PNG
(N-{4-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazolo[3,4-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnc2[nH]ncc12 |r|
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n/an/a>40n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377226
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-7-hydroxy-6,7-di...)
Show SMILES CS(=O)(=O)c1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnc2[C@@H](O)CCc2c1N1CCC[C@H](N)C1 |r,wU:26.28,36.40,(5.19,6.4,;3.85,5.63,;2.52,6.4,;3.45,7.12,;3.85,4.09,;2.52,3.32,;2.52,1.78,;1.18,1.01,;3.85,1.01,;5.19,1.78,;6.52,1.01,;5.19,3.32,;3.85,-.53,;2.52,-1.3,;2.52,-2.84,;3.85,-3.61,;5.19,-2.84,;5.19,-1.3,;6.52,-.53,;1.18,-3.61,;1.18,-5.15,;-.15,-2.84,;-1.48,-3.61,;-1.48,-5.15,;-2.82,-5.92,;-4.15,-5.15,;-5.61,-5.63,;-6.01,-7.12,;-6.52,-4.38,;-5.61,-3.14,;-4.15,-3.61,;-2.82,-2.84,;-2.82,-1.3,;-1.48,-.53,;-1.48,1.01,;-2.82,1.78,;-4.15,1.01,;-5.48,1.78,;-4.15,-.53,)|
Show InChI InChI=1S/C26H26F3N5O4S/c1-39(37,38)14-9-17(28)22(18(29)10-14)24-16(27)5-6-19(32-24)26(36)33-20-11-31-23-15(4-7-21(23)35)25(20)34-8-2-3-13(30)12-34/h5-6,9-11,13,21,35H,2-4,7-8,12,30H2,1H3,(H,33,36)/t13-,21-/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377185
PNG
(N-{4-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazolo[3,4-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnc2[nH]ncc12 |r|
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377145
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]quinolin-3-yl}-2-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnc2ccccc12 |r|
Show InChI InChI=1S/C24H21F2N5OS/c25-16-7-3-8-17(26)21(16)24-30-20(13-33-24)23(32)29-19-11-28-18-9-2-1-6-15(18)22(19)31-10-4-5-14(27)12-31/h1-3,6-9,11,13-14H,4-5,10,12,27H2,(H,29,32)/t14-/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377145
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]quinolin-3-yl}-2-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnc2ccccc12 |r|
Show InChI InChI=1S/C24H21F2N5OS/c25-16-7-3-8-17(26)21(16)24-30-20(13-33-24)23(32)29-19-11-28-18-9-2-1-6-15(18)22(19)31-10-4-5-14(27)12-31/h1-3,6-9,11,13-14H,4-5,10,12,27H2,(H,29,32)/t14-/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377186
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c1-11-7-12(26)10-31(9-11)19-13-5-6-33-22(13)28-8-16(19)29-21(32)18-20(27)34-23(30-18)17-14(24)3-2-4-15(17)25/h2-4,8,11-12H,5-7,9-10,26-27H2,1H3,(H,29,32)/t11-,12+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377186
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c1-11-7-12(26)10-31(9-11)19-13-5-6-33-22(13)28-8-16(19)29-21(32)18-20(27)34-23(30-18)17-14(24)3-2-4-15(17)25/h2-4,8,11-12H,5-7,9-10,26-27H2,1H3,(H,29,32)/t11-,12+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377186
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c1-11-7-12(26)10-31(9-11)19-13-5-6-33-22(13)28-8-16(19)29-21(32)18-20(27)34-23(30-18)17-14(24)3-2-4-15(17)25/h2-4,8,11-12H,5-7,9-10,26-27H2,1H3,(H,29,32)/t11-,12+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM424958
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCC(O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:7.8,(-.15,3.28,;-1.48,2.51,;-1.48,.97,;-2.82,.2,;-4.15,.97,;-4.15,2.51,;-5.48,3.28,;-2.82,3.28,;-2.82,4.82,;-2.82,-1.34,;-4.15,-2.11,;-5.61,-1.63,;-6.52,-2.88,;-5.61,-4.13,;-6.09,-5.59,;-4.15,-3.65,;-2.82,-4.42,;-1.48,-3.65,;-1.48,-2.11,;-.15,-1.34,;1.18,-2.11,;1.18,-3.65,;2.52,-1.34,;3.85,-2.11,;5.19,-1.34,;5.19,.2,;6.52,.97,;3.85,.97,;2.52,.2,;3.85,2.51,;5.19,3.28,;6.52,2.51,;5.19,4.82,;3.85,5.59,;2.52,4.82,;2.52,3.28,;1.18,2.51,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20?,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM424958
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCC(O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:7.8,(-.15,3.28,;-1.48,2.51,;-1.48,.97,;-2.82,.2,;-4.15,.97,;-4.15,2.51,;-5.48,3.28,;-2.82,3.28,;-2.82,4.82,;-2.82,-1.34,;-4.15,-2.11,;-5.61,-1.63,;-6.52,-2.88,;-5.61,-4.13,;-6.09,-5.59,;-4.15,-3.65,;-2.82,-4.42,;-1.48,-3.65,;-1.48,-2.11,;-.15,-1.34,;1.18,-2.11,;1.18,-3.65,;2.52,-1.34,;3.85,-2.11,;5.19,-1.34,;5.19,.2,;6.52,.97,;3.85,.97,;2.52,.2,;3.85,2.51,;5.19,3.28,;6.52,2.51,;5.19,4.82,;3.85,5.59,;2.52,4.82,;2.52,3.28,;1.18,2.51,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20?,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM424958
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCC(O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:7.8,(-.15,3.28,;-1.48,2.51,;-1.48,.97,;-2.82,.2,;-4.15,.97,;-4.15,2.51,;-5.48,3.28,;-2.82,3.28,;-2.82,4.82,;-2.82,-1.34,;-4.15,-2.11,;-5.61,-1.63,;-6.52,-2.88,;-5.61,-4.13,;-6.09,-5.59,;-4.15,-3.65,;-2.82,-4.42,;-1.48,-3.65,;-1.48,-2.11,;-.15,-1.34,;1.18,-2.11,;1.18,-3.65,;2.52,-1.34,;3.85,-2.11,;5.19,-1.34,;5.19,.2,;6.52,.97,;3.85,.97,;2.52,.2,;3.85,2.51,;5.19,3.28,;6.52,2.51,;5.19,4.82,;3.85,5.59,;2.52,4.82,;2.52,3.28,;1.18,2.51,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20?,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377187
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:13.14,5.5,1.0,wD:7.8,(-.15,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.98,;-4.15,2.52,;-5.48,3.29,;-2.82,3.29,;-2.82,4.83,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20-,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377187
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:13.14,5.5,1.0,wD:7.8,(-.15,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.98,;-4.15,2.52,;-5.48,3.29,;-2.82,3.29,;-2.82,4.83,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20-,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377187
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:13.14,5.5,1.0,wD:7.8,(-.15,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.98,;-4.15,2.52,;-5.48,3.29,;-2.82,3.29,;-2.82,4.83,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20-,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377188
PNG
(US10265307, Example 37-2 | US10517858, Example 37 ...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:13.14,7.8,(-.15,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.98,;-4.15,2.52,;-5.48,3.29,;-2.82,3.29,;-2.82,4.83,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377188
PNG
(US10265307, Example 37-2 | US10517858, Example 37 ...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:13.14,7.8,(-.15,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.98,;-4.15,2.52,;-5.48,3.29,;-2.82,3.29,;-2.82,4.83,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377188
PNG
(US10265307, Example 37-2 | US10517858, Example 37 ...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:13.14,7.8,(-.15,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.98,;-4.15,2.52,;-5.48,3.29,;-2.82,3.29,;-2.82,4.83,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377189
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:3.3,1.0,(-.15,2.69,;-1.48,1.93,;-2.82,2.69,;-4.15,1.93,;-5.48,2.69,;-4.15,.38,;-2.82,-.38,;-1.48,.38,;-2.82,-1.93,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.47,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.93,;1.18,-2.69,;1.18,-4.23,;2.52,-1.93,;2.52,-.38,;3.85,.38,;5.19,-.38,;6.52,.38,;5.19,-1.93,;3.85,-2.69,;3.85,-4.23,;3.85,1.93,;2.52,2.7,;1.18,1.93,;2.52,4.24,;3.85,5,;5.19,4.24,;5.19,2.7,;6.52,1.93,)|
Show InChI InChI=1S/C25H25F3N6O2/c1-12-7-13(29)11-34(10-12)23-14-5-6-36-25(14)31-9-19(23)32-24(35)22-18(30)8-17(28)21(33-22)20-15(26)3-2-4-16(20)27/h2-4,8-9,12-13H,5-7,10-11,29-30H2,1H3,(H,32,35)/t12-,13+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377189
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:3.3,1.0,(-.15,2.69,;-1.48,1.93,;-2.82,2.69,;-4.15,1.93,;-5.48,2.69,;-4.15,.38,;-2.82,-.38,;-1.48,.38,;-2.82,-1.93,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.47,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.93,;1.18,-2.69,;1.18,-4.23,;2.52,-1.93,;2.52,-.38,;3.85,.38,;5.19,-.38,;6.52,.38,;5.19,-1.93,;3.85,-2.69,;3.85,-4.23,;3.85,1.93,;2.52,2.7,;1.18,1.93,;2.52,4.24,;3.85,5,;5.19,4.24,;5.19,2.7,;6.52,1.93,)|
Show InChI InChI=1S/C25H25F3N6O2/c1-12-7-13(29)11-34(10-12)23-14-5-6-36-25(14)31-9-19(23)32-24(35)22-18(30)8-17(28)21(33-22)20-15(26)3-2-4-16(20)27/h2-4,8-9,12-13H,5-7,10-11,29-30H2,1H3,(H,32,35)/t12-,13+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377189
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:3.3,1.0,(-.15,2.69,;-1.48,1.93,;-2.82,2.69,;-4.15,1.93,;-5.48,2.69,;-4.15,.38,;-2.82,-.38,;-1.48,.38,;-2.82,-1.93,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.47,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.93,;1.18,-2.69,;1.18,-4.23,;2.52,-1.93,;2.52,-.38,;3.85,.38,;5.19,-.38,;6.52,.38,;5.19,-1.93,;3.85,-2.69,;3.85,-4.23,;3.85,1.93,;2.52,2.7,;1.18,1.93,;2.52,4.24,;3.85,5,;5.19,4.24,;5.19,2.7,;6.52,1.93,)|
Show InChI InChI=1S/C25H25F3N6O2/c1-12-7-13(29)11-34(10-12)23-14-5-6-36-25(14)31-9-19(23)32-24(35)22-18(30)8-17(28)21(33-22)20-15(26)3-2-4-16(20)27/h2-4,8-9,12-13H,5-7,10-11,29-30H2,1H3,(H,32,35)/t12-,13+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377190
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-2,3-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.3,1.0,(-.15,2.69,;-1.48,1.93,;-2.82,2.69,;-4.15,1.93,;-5.48,2.69,;-4.15,.38,;-2.82,-.38,;-1.48,.38,;-2.82,-1.93,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.47,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.93,;1.18,-2.69,;1.18,-4.23,;2.52,-1.93,;3.85,-2.69,;5.19,-1.93,;5.19,-.38,;6.52,.38,;3.85,.38,;2.52,-.38,;3.85,1.93,;2.52,2.7,;1.18,1.93,;2.52,4.24,;3.85,5,;5.19,4.24,;5.19,2.7,;6.52,1.93,)|
Show InChI InChI=1S/C25H24F3N5O2/c1-13-9-14(29)12-33(11-13)23-15-7-8-35-25(15)30-10-20(23)32-24(34)19-6-5-18(28)22(31-19)21-16(26)3-2-4-17(21)27/h2-6,10,13-14H,7-9,11-12,29H2,1H3,(H,32,34)/t13-,14+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377190
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-2,3-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.3,1.0,(-.15,2.69,;-1.48,1.93,;-2.82,2.69,;-4.15,1.93,;-5.48,2.69,;-4.15,.38,;-2.82,-.38,;-1.48,.38,;-2.82,-1.93,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.47,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.93,;1.18,-2.69,;1.18,-4.23,;2.52,-1.93,;3.85,-2.69,;5.19,-1.93,;5.19,-.38,;6.52,.38,;3.85,.38,;2.52,-.38,;3.85,1.93,;2.52,2.7,;1.18,1.93,;2.52,4.24,;3.85,5,;5.19,4.24,;5.19,2.7,;6.52,1.93,)|
Show InChI InChI=1S/C25H24F3N5O2/c1-13-9-14(29)12-33(11-13)23-15-7-8-35-25(15)30-10-20(23)32-24(34)19-6-5-18(28)22(31-19)21-16(26)3-2-4-17(21)27/h2-6,10,13-14H,7-9,11-12,29H2,1H3,(H,32,34)/t13-,14+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377190
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-2,3-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.3,1.0,(-.15,2.69,;-1.48,1.93,;-2.82,2.69,;-4.15,1.93,;-5.48,2.69,;-4.15,.38,;-2.82,-.38,;-1.48,.38,;-2.82,-1.93,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.47,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.93,;1.18,-2.69,;1.18,-4.23,;2.52,-1.93,;3.85,-2.69,;5.19,-1.93,;5.19,-.38,;6.52,.38,;3.85,.38,;2.52,-.38,;3.85,1.93,;2.52,2.7,;1.18,1.93,;2.52,4.24,;3.85,5,;5.19,4.24,;5.19,2.7,;6.52,1.93,)|
Show InChI InChI=1S/C25H24F3N5O2/c1-13-9-14(29)12-33(11-13)23-15-7-8-35-25(15)30-10-20(23)32-24(34)19-6-5-18(28)22(31-19)21-16(26)3-2-4-17(21)27/h2-6,10,13-14H,7-9,11-12,29H2,1H3,(H,32,34)/t13-,14+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377191
PNG
(5-Amino-N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O3S/c1-10-8-31(9-14(26)19(10)32)18-11-5-6-34-22(11)28-7-15(18)29-21(33)17-20(27)35-23(30-17)16-12(24)3-2-4-13(16)25/h2-4,7,10,14,19,32H,5-6,8-9,26-27H2,1H3,(H,29,33)/t10-,14+,19+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377191
PNG
(5-Amino-N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O3S/c1-10-8-31(9-14(26)19(10)32)18-11-5-6-34-22(11)28-7-15(18)29-21(33)17-20(27)35-23(30-17)16-12(24)3-2-4-13(16)25/h2-4,7,10,14,19,32H,5-6,8-9,26-27H2,1H3,(H,29,33)/t10-,14+,19+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377191
PNG
(5-Amino-N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O3S/c1-10-8-31(9-14(26)19(10)32)18-11-5-6-34-22(11)28-7-15(18)29-21(33)17-20(27)35-23(30-17)16-12(24)3-2-4-13(16)25/h2-4,7,10,14,19,32H,5-6,8-9,26-27H2,1H3,(H,29,33)/t10-,14+,19+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377192
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:7.8,(-.15,2.69,;-1.48,1.93,;-1.48,.39,;-2.82,-.38,;-4.15,.39,;-4.15,1.93,;-5.48,2.69,;-2.82,2.69,;-2.82,4.23,;-2.82,-1.92,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.46,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.92,;1.18,-2.69,;1.18,-4.23,;2.52,-1.92,;3.85,-2.69,;5.19,-1.92,;5.19,-.38,;6.52,.39,;3.85,.39,;2.52,-.38,;3.85,1.93,;2.52,2.69,;1.18,1.93,;2.52,4.23,;3.85,5,;5.19,4.23,;5.19,2.69,;6.52,1.93,)|
Show InChI InChI=1S/C25H24F3N5O3/c1-12-10-33(11-17(29)23(12)34)22-13-7-8-36-25(13)30-9-19(22)32-24(35)18-6-5-16(28)21(31-18)20-14(26)3-2-4-15(20)27/h2-6,9,12,17,23,34H,7-8,10-11,29H2,1H3,(H,32,35)/t12-,17+,23+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377192
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:7.8,(-.15,2.69,;-1.48,1.93,;-1.48,.39,;-2.82,-.38,;-4.15,.39,;-4.15,1.93,;-5.48,2.69,;-2.82,2.69,;-2.82,4.23,;-2.82,-1.92,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.46,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.92,;1.18,-2.69,;1.18,-4.23,;2.52,-1.92,;3.85,-2.69,;5.19,-1.92,;5.19,-.38,;6.52,.39,;3.85,.39,;2.52,-.38,;3.85,1.93,;2.52,2.69,;1.18,1.93,;2.52,4.23,;3.85,5,;5.19,4.23,;5.19,2.69,;6.52,1.93,)|
Show InChI InChI=1S/C25H24F3N5O3/c1-12-10-33(11-17(29)23(12)34)22-13-7-8-36-25(13)30-9-19(22)32-24(35)18-6-5-16(28)21(31-18)20-14(26)3-2-4-15(20)27/h2-6,9,12,17,23,34H,7-8,10-11,29H2,1H3,(H,32,35)/t12-,17+,23+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377192
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:7.8,(-.15,2.69,;-1.48,1.93,;-1.48,.39,;-2.82,-.38,;-4.15,.39,;-4.15,1.93,;-5.48,2.69,;-2.82,2.69,;-2.82,4.23,;-2.82,-1.92,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.46,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.92,;1.18,-2.69,;1.18,-4.23,;2.52,-1.92,;3.85,-2.69,;5.19,-1.92,;5.19,-.38,;6.52,.39,;3.85,.39,;2.52,-.38,;3.85,1.93,;2.52,2.69,;1.18,1.93,;2.52,4.23,;3.85,5,;5.19,4.23,;5.19,2.69,;6.52,1.93,)|
Show InChI InChI=1S/C25H24F3N5O3/c1-12-10-33(11-17(29)23(12)34)22-13-7-8-36-25(13)30-9-19(22)32-24(35)18-6-5-16(28)21(31-18)20-14(26)3-2-4-15(20)27/h2-6,9,12,17,23,34H,7-8,10-11,29H2,1H3,(H,32,35)/t12-,17+,23+/m0/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377193
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F5N6O2S/c24-13-2-1-3-14(25)16(13)22-33-17(19(30)37-22)20(35)32-15-7-31-21-12(4-5-36-21)18(15)34-8-10(23(26,27)28)6-11(29)9-34/h1-3,7,10-11H,4-6,8-9,29-30H2,(H,32,35)/t10-,11+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377193
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F5N6O2S/c24-13-2-1-3-14(25)16(13)22-33-17(19(30)37-22)20(35)32-15-7-31-21-12(4-5-36-21)18(15)34-8-10(23(26,27)28)6-11(29)9-34/h1-3,7,10-11H,4-6,8-9,29-30H2,(H,32,35)/t10-,11+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377193
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F5N6O2S/c24-13-2-1-3-14(25)16(13)22-33-17(19(30)37-22)20(35)32-15-7-31-21-12(4-5-36-21)18(15)34-8-10(23(26,27)28)6-11(29)9-34/h1-3,7,10-11H,4-6,8-9,29-30H2,(H,32,35)/t10-,11+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377194
PNG
(N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F)C(F)(F)F |r,wU:1.0,3.38,(-5.48,2.69,;-4.15,1.93,;-2.82,2.69,;-1.41,2.01,;-1.48,.39,;-2.82,-.38,;-4.15,.39,;-2.82,-1.92,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.46,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.92,;1.18,-2.69,;1.18,-4.23,;2.52,-1.92,;3.85,-2.69,;5.19,-1.92,;5.19,-.38,;6.52,.39,;3.85,.39,;2.52,-.38,;3.85,1.93,;2.52,2.69,;1.18,1.93,;2.52,4.23,;3.85,5,;5.19,4.23,;5.19,2.69,;6.52,1.93,;-.08,2.8,;1.24,3.58,;.7,1.47,;-.87,4.12,)|
Show InChI InChI=1S/C25H21F6N5O2/c26-15-2-1-3-16(27)20(15)21-17(28)4-5-18(34-21)23(37)35-19-9-33-24-14(6-7-38-24)22(19)36-10-12(25(29,30)31)8-13(32)11-36/h1-5,9,12-13H,6-8,10-11,32H2,(H,35,37)/t12-,13+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377194
PNG
(N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F)C(F)(F)F |r,wU:1.0,3.38,(-5.48,2.69,;-4.15,1.93,;-2.82,2.69,;-1.41,2.01,;-1.48,.39,;-2.82,-.38,;-4.15,.39,;-2.82,-1.92,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.46,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.92,;1.18,-2.69,;1.18,-4.23,;2.52,-1.92,;3.85,-2.69,;5.19,-1.92,;5.19,-.38,;6.52,.39,;3.85,.39,;2.52,-.38,;3.85,1.93,;2.52,2.69,;1.18,1.93,;2.52,4.23,;3.85,5,;5.19,4.23,;5.19,2.69,;6.52,1.93,;-.08,2.8,;1.24,3.58,;.7,1.47,;-.87,4.12,)|
Show InChI InChI=1S/C25H21F6N5O2/c26-15-2-1-3-16(27)20(15)21-17(28)4-5-18(34-21)23(37)35-19-9-33-24-14(6-7-38-24)22(19)36-10-12(25(29,30)31)8-13(32)11-36/h1-5,9,12-13H,6-8,10-11,32H2,(H,35,37)/t12-,13+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377194
PNG
(N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CCOc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F)C(F)(F)F |r,wU:1.0,3.38,(-5.48,2.69,;-4.15,1.93,;-2.82,2.69,;-1.41,2.01,;-1.48,.39,;-2.82,-.38,;-4.15,.39,;-2.82,-1.92,;-4.15,-2.69,;-5.61,-2.22,;-6.52,-3.46,;-5.61,-4.71,;-4.15,-4.23,;-2.82,-5,;-1.48,-4.23,;-1.48,-2.69,;-.15,-1.92,;1.18,-2.69,;1.18,-4.23,;2.52,-1.92,;3.85,-2.69,;5.19,-1.92,;5.19,-.38,;6.52,.39,;3.85,.39,;2.52,-.38,;3.85,1.93,;2.52,2.69,;1.18,1.93,;2.52,4.23,;3.85,5,;5.19,4.23,;5.19,2.69,;6.52,1.93,;-.08,2.8,;1.24,3.58,;.7,1.47,;-.87,4.12,)|
Show InChI InChI=1S/C25H21F6N5O2/c26-15-2-1-3-16(27)20(15)21-17(28)4-5-18(34-21)23(37)35-19-9-33-24-14(6-7-38-24)22(19)36-10-12(25(29,30)31)8-13(32)11-36/h1-5,9,12-13H,6-8,10-11,32H2,(H,35,37)/t12-,13+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377195
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F5N6O2S/c25-13-2-1-3-14(26)17(13)23-34-19(21(31)38-23)22(37)33-15-7-32-18-12(4-5-16(18)36)20(15)35-8-10(24(27,28)29)6-11(30)9-35/h1-3,7,10-11,16,36H,4-6,8-9,30-31H2,(H,33,37)/t10-,11+,16+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377195
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F5N6O2S/c25-13-2-1-3-14(26)17(13)23-34-19(21(31)38-23)22(37)33-15-7-32-18-12(4-5-16(18)36)20(15)35-8-10(24(27,28)29)6-11(30)9-35/h1-3,7,10-11,16,36H,4-6,8-9,30-31H2,(H,33,37)/t10-,11+,16+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377195
PNG
(5-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F5N6O2S/c25-13-2-1-3-14(26)17(13)23-34-19(21(31)38-23)22(37)33-15-7-32-18-12(4-5-16(18)36)20(15)35-8-10(24(27,28)29)6-11(30)9-35/h1-3,7,10-11,16,36H,4-6,8-9,30-31H2,(H,33,37)/t10-,11+,16+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377196
PNG
(US10265307, Example 44-2 | US10517858, Example 44 ...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F5N6O2S/c25-13-2-1-3-14(26)17(13)23-34-19(21(31)38-23)22(37)33-15-7-32-18-12(4-5-16(18)36)20(15)35-8-10(24(27,28)29)6-11(30)9-35/h1-3,7,10-11,16,36H,4-6,8-9,30-31H2,(H,33,37)/t10-,11+,16-/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377196
PNG
(US10265307, Example 44-2 | US10517858, Example 44 ...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F5N6O2S/c25-13-2-1-3-14(26)17(13)23-34-19(21(31)38-23)22(37)33-15-7-32-18-12(4-5-16(18)36)20(15)35-8-10(24(27,28)29)6-11(30)9-35/h1-3,7,10-11,16,36H,4-6,8-9,30-31H2,(H,33,37)/t10-,11+,16-/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377196
PNG
(US10265307, Example 44-2 | US10517858, Example 44 ...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F5N6O2S/c25-13-2-1-3-14(26)17(13)23-34-19(21(31)38-23)22(37)33-15-7-32-18-12(4-5-16(18)36)20(15)35-8-10(24(27,28)29)6-11(30)9-35/h1-3,7,10-11,16,36H,4-6,8-9,30-31H2,(H,33,37)/t10-,11+,16-/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377197
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-7-hy...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O2/c1-13-9-14(30)12-34(11-13)25-15-5-8-21(35)23(15)31-10-20(25)33-26(36)19-7-6-18(29)24(32-19)22-16(27)3-2-4-17(22)28/h2-4,6-7,10,13-14,21,35H,5,8-9,11-12,30H2,1H3,(H,33,36)/t13-,14+,21+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377197
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-7-hy...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O2/c1-13-9-14(30)12-34(11-13)25-15-5-8-21(35)23(15)31-10-20(25)33-26(36)19-7-6-18(29)24(32-19)22-16(27)3-2-4-17(22)28/h2-4,6-7,10,13-14,21,35H,5,8-9,11-12,30H2,1H3,(H,33,36)/t13-,14+,21+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377197
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-7-hy...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O2/c1-13-9-14(30)12-34(11-13)25-15-5-8-21(35)23(15)31-10-20(25)33-26(36)19-7-6-18(29)24(32-19)22-16(27)3-2-4-17(22)28/h2-4,6-7,10,13-14,21,35H,5,8-9,11-12,30H2,1H3,(H,33,36)/t13-,14+,21+/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377198
PNG
(US10265307, Example 45-2 | US10517858, Example 45 ...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.3,1.0,wD:12.13,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O2/c1-13-9-14(30)12-34(11-13)25-15-5-8-21(35)23(15)31-10-20(25)33-26(36)19-7-6-18(29)24(32-19)22-16(27)3-2-4-17(22)28/h2-4,6-7,10,13-14,21,35H,5,8-9,11-12,30H2,1H3,(H,33,36)/t13-,14+,21-/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377198
PNG
(US10265307, Example 45-2 | US10517858, Example 45 ...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.3,1.0,wD:12.13,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O2/c1-13-9-14(30)12-34(11-13)25-15-5-8-21(35)23(15)31-10-20(25)33-26(36)19-7-6-18(29)24(32-19)22-16(27)3-2-4-17(22)28/h2-4,6-7,10,13-14,21,35H,5,8-9,11-12,30H2,1H3,(H,33,36)/t13-,14+,21-/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377198
PNG
(US10265307, Example 45-2 | US10517858, Example 45 ...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.3,1.0,wD:12.13,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;3.85,-2.1,;5.19,-1.33,;5.19,.21,;6.52,.98,;3.85,.98,;2.52,.21,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H26F3N5O2/c1-13-9-14(30)12-34(11-13)25-15-5-8-21(35)23(15)31-10-20(25)33-26(36)19-7-6-18(29)24(32-19)22-16(27)3-2-4-17(22)28/h2-4,6-7,10,13-14,21,35H,5,8-9,11-12,30H2,1H3,(H,33,36)/t13-,14+,21-/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
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