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Compile Data Set for Download or QSAR

Found 327 hits Enz. Inhib. hit(s) with all data for entry = 9504   
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-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|
PDB
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n/an/a>40n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
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 Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
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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n/an/a>40n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
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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n/an/a>40n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
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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n/an/a>40n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377168
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-6,7-dihydro-5H-c...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCCc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(-5.48,2.69,;-4.15,1.93,;-2.82,2.69,;-1.48,1.93,;-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,-2.7,;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/C25H24F3N5O/c26-16-6-2-7-17(27)22(16)23-18(28)9-10-20(31-23)25(34)32-21-12-30-19-8-1-5-15(19)24(21)33-11-3-4-14(29)13-33/h2,6-7,9-10,12,14H,1,3-5,8,11,13,29H2,(H,32,34)/t14-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377168
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-6,7-dihydro-5H-c...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCCc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(-5.48,2.69,;-4.15,1.93,;-2.82,2.69,;-1.48,1.93,;-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,-2.7,;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/C25H24F3N5O/c26-16-6-2-7-17(27)22(16)23-18(28)9-10-20(31-23)25(34)32-21-12-30-19-8-1-5-15(19)24(21)33-11-3-4-14(29)13-33/h2,6-7,9-10,12,14H,1,3-5,8,11,13,29H2,(H,32,34)/t14-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377168
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-6,7-dihydro-5H-c...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCCc2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(-5.48,2.69,;-4.15,1.93,;-2.82,2.69,;-1.48,1.93,;-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,-2.7,;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/C25H24F3N5O/c26-16-6-2-7-17(27)22(16)23-18(28)9-10-20(31-23)25(34)32-21-12-30-19-8-1-5-15(19)24(21)33-11-3-4-14(29)13-33/h2,6-7,9-10,12,14H,1,3-5,8,11,13,29H2,(H,32,34)/t14-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377169
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-7-hydroxy-6,7-di...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H24F3N5O2/c26-15-4-1-5-16(27)21(15)23-17(28)7-8-18(31-23)25(35)32-19-11-30-22-14(6-9-20(22)34)24(19)33-10-2-3-13(29)12-33/h1,4-5,7-8,11,13,20,34H,2-3,6,9-10,12,29H2,(H,32,35)/t13-,20-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377169
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-7-hydroxy-6,7-di...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H24F3N5O2/c26-15-4-1-5-16(27)21(15)23-17(28)7-8-18(31-23)25(35)32-19-11-30-22-14(6-9-20(22)34)24(19)33-10-2-3-13(29)12-33/h1,4-5,7-8,11,13,20,34H,2-3,6,9-10,12,29H2,(H,32,35)/t13-,20-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM471739
PNG
(US10828290, Example 22 (Diastereoisomer 2))
Show SMILES N[C@H]1CCCN(C1)c1c2CCC(O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(-5.48,3.28,;-4.15,2.51,;-2.82,3.28,;-1.48,2.51,;-1.48,.97,;-2.82,.2,;-4.15,.97,;-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,;2.52,3.28,;1.18,2.51,;2.52,4.82,;3.85,5.59,;5.19,4.82,;5.19,3.28,;6.52,2.51,)|
Show InChI InChI=1S/C25H24F3N5O2/c26-15-4-1-5-16(27)21(15)23-17(28)7-8-18(31-23)25(35)32-19-11-30-22-14(6-9-20(22)34)24(19)33-10-2-3-13(29)12-33/h1,4-5,7-8,11,13,20,34H,2-3,6,9-10,12,29H2,(H,32,35)/t13-,20?/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM471739
PNG
(US10828290, Example 22 (Diastereoisomer 2))
Show SMILES N[C@H]1CCCN(C1)c1c2CCC(O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(-5.48,3.28,;-4.15,2.51,;-2.82,3.28,;-1.48,2.51,;-1.48,.97,;-2.82,.2,;-4.15,.97,;-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,;2.52,3.28,;1.18,2.51,;2.52,4.82,;3.85,5.59,;5.19,4.82,;5.19,3.28,;6.52,2.51,)|
Show InChI InChI=1S/C25H24F3N5O2/c26-15-4-1-5-16(27)21(15)23-17(28)7-8-18(31-23)25(35)32-19-11-30-22-14(6-9-20(22)34)24(19)33-10-2-3-13(29)12-33/h1,4-5,7-8,11,13,20,34H,2-3,6,9-10,12,29H2,(H,32,35)/t13-,20?/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM471739
PNG
(US10828290, Example 22 (Diastereoisomer 2))
Show SMILES N[C@H]1CCCN(C1)c1c2CCC(O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(-5.48,3.28,;-4.15,2.51,;-2.82,3.28,;-1.48,2.51,;-1.48,.97,;-2.82,.2,;-4.15,.97,;-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,;2.52,3.28,;1.18,2.51,;2.52,4.82,;3.85,5.59,;5.19,4.82,;5.19,3.28,;6.52,2.51,)|
Show InChI InChI=1S/C25H24F3N5O2/c26-15-4-1-5-16(27)21(15)23-17(28)7-8-18(31-23)25(35)32-19-11-30-22-14(6-9-20(22)34)24(19)33-10-2-3-13(29)12-33/h1,4-5,7-8,11,13,20,34H,2-3,6,9-10,12,29H2,(H,32,35)/t13-,20?/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377171
PNG
(3-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-hydrox...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:1.0,11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H25F3N6O2/c26-14-4-1-5-15(27)20(14)22-16(28)9-17(30)23(33-22)25(36)32-18-10-31-21-13(6-7-19(21)35)24(18)34-8-2-3-12(29)11-34/h1,4-5,9-10,12,19,35H,2-3,6-8,11,29-30H2,(H,32,36)/t12-,19-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377171
PNG
(3-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-hydrox...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:1.0,11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H25F3N6O2/c26-14-4-1-5-15(27)20(14)22-16(28)9-17(30)23(33-22)25(36)32-18-10-31-21-13(6-7-19(21)35)24(18)34-8-2-3-12(29)11-34/h1,4-5,9-10,12,19,35H,2-3,6-8,11,29-30H2,(H,32,36)/t12-,19-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377171
PNG
(3-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-hydrox...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:1.0,11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H25F3N6O2/c26-14-4-1-5-15(27)20(14)22-16(28)9-17(30)23(33-22)25(36)32-18-10-31-21-13(6-7-19(21)35)24(18)34-8-2-3-12(29)11-34/h1,4-5,9-10,12,19,35H,2-3,6-8,11,29-30H2,(H,32,36)/t12-,19-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377172
PNG
(US10265307, Example 23-2 | US10828290, Example 23 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:1.0,wD:11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H25F3N6O2/c26-14-4-1-5-15(27)20(14)22-16(28)9-17(30)23(33-22)25(36)32-18-10-31-21-13(6-7-19(21)35)24(18)34-8-2-3-12(29)11-34/h1,4-5,9-10,12,19,35H,2-3,6-8,11,29-30H2,(H,32,36)/t12-,19+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377172
PNG
(US10265307, Example 23-2 | US10828290, Example 23 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:1.0,wD:11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H25F3N6O2/c26-14-4-1-5-15(27)20(14)22-16(28)9-17(30)23(33-22)25(36)32-18-10-31-21-13(6-7-19(21)35)24(18)34-8-2-3-12(29)11-34/h1,4-5,9-10,12,19,35H,2-3,6-8,11,29-30H2,(H,32,36)/t12-,19+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377172
PNG
(US10265307, Example 23-2 | US10828290, Example 23 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:1.0,wD:11.12,(-5.48,3.29,;-4.15,2.52,;-2.82,3.29,;-1.48,2.52,;-1.48,.98,;-2.82,.21,;-4.15,.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/C25H25F3N6O2/c26-14-4-1-5-15(27)20(14)22-16(28)9-17(30)23(33-22)25(36)32-18-10-31-21-13(6-7-19(21)35)24(18)34-8-2-3-12(29)11-34/h1,4-5,9-10,12,19,35H,2-3,6-8,11,29-30H2,(H,32,36)/t12-,19+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377173
PNG
(5-Amino-N-{4-[3,4-trans-3-amino-4-hydroxypiperidin...)
Show SMILES N[C@H]1CN(CC[C@@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377173
PNG
(5-Amino-N-{4-[3,4-trans-3-amino-4-hydroxypiperidin...)
Show SMILES N[C@H]1CN(CC[C@@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377174
PNG
(5-Amino-N-{4-[3,4-trans-3-amino-4-hydroxypiperidin...)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17-/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377174
PNG
(5-Amino-N-{4-[3,4-trans-3-amino-4-hydroxypiperidin...)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17-/m1/s1
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US Patent


Assay Description
Pim-1 and Pim-3 kinase assays—20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377174
PNG
(5-Amino-N-{4-[3,4-trans-3-amino-4-hydroxypiperidin...)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17-/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377175
PNG
(5-Amino-N-{4-[(3,4-cis-3-amino-4-hydroxypiperidin-...)
Show SMILES N[C@H]1CN(CC[C@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377175
PNG
(5-Amino-N-{4-[(3,4-cis-3-amino-4-hydroxypiperidin-...)
Show SMILES N[C@H]1CN(CC[C@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377177
PNG
(5-Amino-N-{4-[3.4-cis-3-amino-4-hydroxypiperidin-1...)
Show SMILES N[C@@H]1CN(CC[C@@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17+/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377177
PNG
(5-Amino-N-{4-[3.4-cis-3-amino-4-hydroxypiperidin-1...)
Show SMILES N[C@@H]1CN(CC[C@@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17+/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377177
PNG
(5-Amino-N-{4-[3.4-cis-3-amino-4-hydroxypiperidin-1...)
Show SMILES N[C@@H]1CN(CC[C@@H]1O)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-12-4-2-5-13(25)18(12)23-30-19(21(27)34-23)22(33)29-16-9-28-15-6-1-3-11(15)20(16)31-8-7-17(32)14(26)10-31/h2,4-5,9,14,17,32H,1,3,6-8,10,26-27H2,(H,29,33)/t14-,17+/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377178
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)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-11-9-32(10-15(27)21(11)33)20-12-4-2-7-16(12)29-8-17(20)30-23(34)19-22(28)35-24(31-19)18-13(25)5-3-6-14(18)26/h3,5-6,8,11,15,21,33H,2,4,7,9-10,27-28H2,1H3,(H,30,34)/t11-,15+,21+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377178
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)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-11-9-32(10-15(27)21(11)33)20-12-4-2-7-16(12)29-8-17(20)30-23(34)19-22(28)35-24(31-19)18-13(25)5-3-6-14(18)26/h3,5-6,8,11,15,21,33H,2,4,7,9-10,27-28H2,1H3,(H,30,34)/t11-,15+,21+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377178
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)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-11-9-32(10-15(27)21(11)33)20-12-4-2-7-16(12)29-8-17(20)30-23(34)19-22(28)35-24(31-19)18-13(25)5-3-6-14(18)26/h3,5-6,8,11,15,21,33H,2,4,7,9-10,27-28H2,1H3,(H,30,34)/t11-,15+,21+/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377179
PNG
(5-Amino-N-{7-[3,4-trans-3-amino-4-hydroxypiperidin...)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2ccsc12 |r|
Show InChI InChI=1S/C22H20F2N6O2S2/c23-10-2-1-3-11(24)16(10)22-29-17(20(26)34-22)21(32)28-14-8-27-13-5-7-33-19(13)18(14)30-6-4-15(31)12(25)9-30/h1-3,5,7-8,12,15,31H,4,6,9,25-26H2,(H,28,32)/t12-,15-/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377179
PNG
(5-Amino-N-{7-[3,4-trans-3-amino-4-hydroxypiperidin...)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2ccsc12 |r|
Show InChI InChI=1S/C22H20F2N6O2S2/c23-10-2-1-3-11(24)16(10)22-29-17(20(26)34-22)21(32)28-14-8-27-13-5-7-33-19(13)18(14)30-6-4-15(31)12(25)9-30/h1-3,5,7-8,12,15,31H,4,6,9,25-26H2,(H,28,32)/t12-,15-/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377180
PNG
(5-Amino-N-{7-[3.4-cis-3-amino-4-hydroxypiperidin-1...)
Show SMILES N[C@@H]1CN(CC[C@@H]1O)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2ccsc12 |r|
Show InChI InChI=1S/C22H20F2N6O2S2/c23-10-2-1-3-11(24)16(10)22-29-17(20(26)34-22)21(32)28-14-8-27-13-5-7-33-19(13)18(14)30-6-4-15(31)12(25)9-30/h1-3,5,7-8,12,15,31H,4,6,9,25-26H2,(H,28,32)/t12-,15+/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377180
PNG
(5-Amino-N-{7-[3.4-cis-3-amino-4-hydroxypiperidin-1...)
Show SMILES N[C@@H]1CN(CC[C@@H]1O)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2ccsc12 |r|
Show InChI InChI=1S/C22H20F2N6O2S2/c23-10-2-1-3-11(24)16(10)22-29-17(20(26)34-22)21(32)28-14-8-27-13-5-7-33-19(13)18(14)30-6-4-15(31)12(25)9-30/h1-3,5,7-8,12,15,31H,4,6,9,25-26H2,(H,28,32)/t12-,15+/m1/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377181
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2NCCCc12 |r|
Show InChI InChI=1S/C23H25F2N7OS/c24-14-6-1-7-15(25)17(14)23-31-18(20(27)34-23)22(33)30-16-10-29-21-13(5-2-8-28-21)19(16)32-9-3-4-12(26)11-32/h1,6-7,10,12H,2-5,8-9,11,26-27H2,(H,28,29)(H,30,33)/t12-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377181
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2NCCCc12 |r|
Show InChI InChI=1S/C23H25F2N7OS/c24-14-6-1-7-15(25)17(14)23-31-18(20(27)34-23)22(33)30-16-10-29-21-13(5-2-8-28-21)19(16)32-9-3-4-12(26)11-32/h1,6-7,10,12H,2-5,8-9,11,26-27H2,(H,28,29)(H,30,33)/t12-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377181
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2NCCCc12 |r|
Show InChI InChI=1S/C23H25F2N7OS/c24-14-6-1-7-15(25)17(14)23-31-18(20(27)34-23)22(33)30-16-10-29-21-13(5-2-8-28-21)19(16)32-9-3-4-12(26)11-32/h1,6-7,10,12H,2-5,8-9,11,26-27H2,(H,28,29)(H,30,33)/t12-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377182
PNG
(3-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(c(F)cc2N)-c2c(F)cccc2F)cnc2NCCCc12 |r,wU:1.0,(-5.33,2.7,;-4,1.93,;-2.67,2.7,;-1.33,1.93,;-1.33,.39,;-2.67,-.38,;-4,.39,;-2.67,-1.92,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-1.92,;2.67,-.38,;4,.39,;5.33,-.38,;6.67,.39,;5.33,-1.92,;4,-2.7,;4,-4.24,;4,1.93,;2.67,2.69,;1.33,1.93,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;-1.33,-4.23,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-6.67,-4.23,;-6.67,-2.69,;-5.33,-1.92,;-4,-2.69,)|
Show InChI InChI=1S/C25H26F3N7O/c26-15-6-1-7-16(27)20(15)21-17(28)10-18(30)22(34-21)25(36)33-19-11-32-24-14(5-2-8-31-24)23(19)35-9-3-4-13(29)12-35/h1,6-7,10-11,13H,2-5,8-9,12,29-30H2,(H,31,32)(H,33,36)/t13-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377182
PNG
(3-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(c(F)cc2N)-c2c(F)cccc2F)cnc2NCCCc12 |r,wU:1.0,(-5.33,2.7,;-4,1.93,;-2.67,2.7,;-1.33,1.93,;-1.33,.39,;-2.67,-.38,;-4,.39,;-2.67,-1.92,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-1.92,;2.67,-.38,;4,.39,;5.33,-.38,;6.67,.39,;5.33,-1.92,;4,-2.7,;4,-4.24,;4,1.93,;2.67,2.69,;1.33,1.93,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;-1.33,-4.23,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-6.67,-4.23,;-6.67,-2.69,;-5.33,-1.92,;-4,-2.69,)|
Show InChI InChI=1S/C25H26F3N7O/c26-15-6-1-7-16(27)20(15)21-17(28)10-18(30)22(34-21)25(36)33-19-11-32-24-14(5-2-8-31-24)23(19)35-9-3-4-13(29)12-35/h1,6-7,10-11,13H,2-5,8-9,12,29-30H2,(H,31,32)(H,33,36)/t13-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377182
PNG
(3-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(c(F)cc2N)-c2c(F)cccc2F)cnc2NCCCc12 |r,wU:1.0,(-5.33,2.7,;-4,1.93,;-2.67,2.7,;-1.33,1.93,;-1.33,.39,;-2.67,-.38,;-4,.39,;-2.67,-1.92,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-1.92,;2.67,-.38,;4,.39,;5.33,-.38,;6.67,.39,;5.33,-1.92,;4,-2.7,;4,-4.24,;4,1.93,;2.67,2.69,;1.33,1.93,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;-1.33,-4.23,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-6.67,-4.23,;-6.67,-2.69,;-5.33,-1.92,;-4,-2.69,)|
Show InChI InChI=1S/C25H26F3N7O/c26-15-6-1-7-16(27)20(15)21-17(28)10-18(30)22(34-21)25(36)33-19-11-32-24-14(5-2-8-31-24)23(19)35-9-3-4-13(29)12-35/h1,6-7,10-11,13H,2-5,8-9,12,29-30H2,(H,31,32)(H,33,36)/t13-/m0/s1
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Incyte Corporation; Incyte Holdings Corporation

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Assay Description
Pim-1 and Pim-3 kinase assays—20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377183
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-5,6,7,8-tetrahyd...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2ccc(F)c(n2)-c2c(F)cccc2F)cnc2NCCCc12 |r,wU:1.0,(-5.33,2.69,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;-1.33,.39,;-2.67,-.38,;-4,.39,;-2.67,-1.92,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-1.92,;4,-2.7,;5.33,-1.92,;5.33,-.38,;6.67,.39,;4,.39,;2.67,-.38,;4,1.93,;2.67,2.69,;1.33,1.93,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;-1.33,-4.23,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-6.67,-4.23,;-6.67,-2.69,;-5.33,-1.92,;-4,-2.69,)|
Show InChI InChI=1S/C25H25F3N6O/c26-16-6-1-7-17(27)21(16)22-18(28)8-9-19(32-22)25(35)33-20-12-31-24-15(5-2-10-30-24)23(20)34-11-3-4-14(29)13-34/h1,6-9,12,14H,2-5,10-11,13,29H2,(H,30,31)(H,33,35)/t14-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377183
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-5,6,7,8-tetrahyd...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2ccc(F)c(n2)-c2c(F)cccc2F)cnc2NCCCc12 |r,wU:1.0,(-5.33,2.69,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;-1.33,.39,;-2.67,-.38,;-4,.39,;-2.67,-1.92,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-1.92,;4,-2.7,;5.33,-1.92,;5.33,-.38,;6.67,.39,;4,.39,;2.67,-.38,;4,1.93,;2.67,2.69,;1.33,1.93,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;-1.33,-4.23,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-6.67,-4.23,;-6.67,-2.69,;-5.33,-1.92,;-4,-2.69,)|
Show InChI InChI=1S/C25H25F3N6O/c26-16-6-1-7-17(27)21(16)22-18(28)8-9-19(32-22)25(35)33-20-12-31-24-15(5-2-10-30-24)23(20)34-11-3-4-14(29)13-34/h1,6-9,12,14H,2-5,10-11,13,29H2,(H,30,31)(H,33,35)/t14-/m0/s1
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377184
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-1H-pyraz...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2[nH]ncc12 |r|
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377184
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-1H-pyraz...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2[nH]ncc12 |r|
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Incyte Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
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 Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
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 Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
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 Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
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 Corporation; Incyte Holdings 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 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19Z5
More data for this
Ligand-Target Pair
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