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USPatent US10265307

Compile Data Set for Download or QSAR

Found 324 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase pim-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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377163
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-cyano-...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13+/m1/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Curacyte Chemistry GmbH



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

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377200
PNG
(US10265307, Example 46-2 | US10517858, Example 46 ...)
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: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,;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
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377205
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)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H26F2N6O3S/c1-10-8-32(9-14(27)21(10)34)20-11-5-6-16(33)18(11)29-7-15(20)30-23(35)19-22(28)36-24(31-19)17-12(25)3-2-4-13(17)26/h2-4,7,10,14,16,21,33-34H,5-6,8-9,27-28H2,1H3,(H,30,35)/t10-,14+,16-,21+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377206
PNG
(US10265307, Example 49-2 | US10517858, Example 49 ...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1c2CC[C@@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H26F2N6O3S/c1-10-8-32(9-14(27)21(10)34)20-11-5-6-16(33)18(11)29-7-15(20)30-23(35)19-22(28)36-24(31-19)17-12(25)3-2-4-13(17)26/h2-4,7,10,14,16,21,33-34H,5-6,8-9,27-28H2,1H3,(H,30,35)/t10-,14+,16+,21+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377207
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-7-oxo-6,7-dihydr...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCC(=O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(-5.48,3.29,;-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/C25H22F3N5O2/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/h1,4-5,7-8,11,13H,2-3,6,9-10,12,29H2,(H,32,35)/t13-/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM377212
PNG
(US10265307, Example 53-2 | US10517858, Example 53 ...)
Show SMILES COc1ccc(F)c(-c2nc(C(=O)Nc3cnc4[C@H](O)CCc4c3N3CCC[C@H](N)C3)c(N)s2)c1F |r|
Show InChI InChI=1S/C24H26F2N6O3S/c1-35-16-7-5-13(25)17(18(16)26)24-31-20(22(28)36-24)23(34)30-14-9-29-19-12(4-6-15(19)33)21(14)32-8-2-3-11(27)10-32/h5,7,9,11,15,33H,2-4,6,8,10,27-28H2,1H3,(H,30,34)/t11-,15+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377212
PNG
(US10265307, Example 53-2 | US10517858, Example 53 ...)
Show SMILES COc1ccc(F)c(-c2nc(C(=O)Nc3cnc4[C@H](O)CCc4c3N3CCC[C@H](N)C3)c(N)s2)c1F |r|
Show InChI InChI=1S/C24H26F2N6O3S/c1-35-16-7-5-13(25)17(18(16)26)24-31-20(22(28)36-24)23(34)30-14-9-29-19-12(4-6-15(19)33)21(14)32-8-2-3-11(27)10-32/h5,7,9,11,15,33H,2-4,6,8,10,27-28H2,1H3,(H,30,34)/t11-,15+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377218
PNG
(US10265307, Example 56-2 | US10517858, Example 56 ...)
Show SMILES COc1ccc(F)c(c1F)-c1nc(ccc1F)C(=O)Nc1cnc2[C@H](O)CCc2c1N1C[C@H](C)C[C@H](N)C1 |r,wU:35.39,32.36,wD:24.26,(7.19,4.83,;5.85,5.6,;4.52,4.83,;3.19,5.6,;1.85,4.83,;1.85,3.29,;.52,2.52,;3.19,2.52,;4.52,3.29,;5.85,2.52,;3.19,.98,;1.85,.21,;1.85,-1.33,;3.19,-2.1,;4.52,-1.33,;4.52,.21,;5.85,.98,;.52,-2.1,;.52,-3.64,;-.82,-1.33,;-2.15,-2.1,;-2.15,-3.64,;-3.48,-4.41,;-4.82,-3.64,;-6.28,-4.11,;-6.68,-5.6,;-7.19,-2.87,;-6.28,-1.62,;-4.82,-2.1,;-3.48,-1.33,;-3.48,.21,;-2.15,.98,;-2.15,2.52,;-.82,3.29,;-3.48,3.29,;-4.82,2.52,;-6.15,3.29,;-4.82,.98,)|
Show InChI InChI=1S/C27H28F3N5O3/c1-13-9-14(31)12-35(11-13)26-15-3-7-20(36)24(15)32-10-19(26)34-27(37)18-6-4-17(29)25(33-18)22-16(28)5-8-21(38-2)23(22)30/h4-6,8,10,13-14,20,36H,3,7,9,11-12,31H2,1-2H3,(H,34,37)/t13-,14+,20-/m1/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377219
PNG
(5-Amino-N-[4-(3-amino-3-methylpiperidin-1-yl)-6,7-...)
Show SMILES CC1(N)CCCN(C1)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F
Show InChI InChI=1S/C24H26F2N6OS/c1-24(28)9-4-10-32(12-24)20-13-5-2-8-16(13)29-11-17(20)30-22(33)19-21(27)34-23(31-19)18-14(25)6-3-7-15(18)26/h3,6-7,11H,2,4-5,8-10,12,27-28H2,1H3,(H,30,33)
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377220
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-7-hydroxy-6,7-di...)
Show SMILES CSc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnc2C(O)CCc2c1N1CCC[C@H](N)C1 |r,wU:34.38,(5.19,6.76,;3.85,5.99,;3.85,4.45,;2.52,3.68,;2.52,2.14,;1.18,1.37,;3.85,1.37,;5.19,2.14,;6.52,1.37,;5.19,3.68,;3.85,-.17,;2.52,-.94,;2.52,-2.48,;3.85,-3.25,;5.19,-2.48,;5.19,-.94,;6.52,-.17,;1.18,-3.25,;1.18,-4.79,;-.15,-2.48,;-1.48,-3.25,;-1.48,-4.79,;-2.82,-5.56,;-4.15,-4.79,;-5.61,-5.27,;-6.01,-6.76,;-6.52,-4.02,;-5.61,-2.78,;-4.15,-3.25,;-2.82,-2.48,;-2.82,-.94,;-1.48,-.17,;-1.48,1.37,;-2.82,2.14,;-4.15,1.37,;-5.48,2.14,;-4.15,-.17,)|
Show InChI InChI=1S/C26H26F3N5O2S/c1-37-14-9-17(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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM377221
PNG
(US10265307, Example 58-2 | US10517858, Example 58 ...)
Show SMILES CSc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnc2[C@H](O)CCc2c1N1CCC[C@H](N)C1 |r,wU:34.38,wD:24.26,(5.19,6.76,;3.85,5.99,;3.85,4.45,;2.52,3.68,;2.52,2.14,;1.18,1.37,;3.85,1.37,;5.19,2.14,;6.52,1.37,;5.19,3.68,;3.85,-.17,;2.52,-.94,;2.52,-2.48,;3.85,-3.25,;5.19,-2.48,;5.19,-.94,;6.52,-.17,;1.18,-3.25,;1.18,-4.79,;-.15,-2.48,;-1.48,-3.25,;-1.48,-4.79,;-2.82,-5.56,;-4.15,-4.79,;-5.61,-5.27,;-6.01,-6.76,;-6.52,-4.02,;-5.61,-2.78,;-4.15,-3.25,;-2.82,-2.48,;-2.82,-.94,;-1.48,-.17,;-1.48,1.37,;-2.82,2.14,;-4.15,1.37,;-5.48,2.14,;-4.15,-.17,)|
Show InChI InChI=1S/C26H26F3N5O2S/c1-37-14-9-17(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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377222
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-7-hydroxy-6,7-di...)
Show SMILES CS(=O)c1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnc2[C@@H](O)CCc2c1N1CCC[C@H](N)C1 |r,wU:25.27,35.39,(5.19,6.76,;3.85,5.99,;2.52,6.76,;3.85,4.45,;2.52,3.68,;2.52,2.14,;1.18,1.37,;3.85,1.37,;5.19,2.14,;6.52,1.37,;5.19,3.68,;3.85,-.17,;2.52,-.94,;2.52,-2.48,;3.85,-3.25,;5.19,-2.48,;5.19,-.94,;6.52,-.17,;1.18,-3.25,;1.18,-4.79,;-.15,-2.48,;-1.48,-3.25,;-1.48,-4.79,;-2.82,-5.56,;-4.15,-4.79,;-5.61,-5.27,;-6.01,-6.76,;-6.52,-4.02,;-5.61,-2.78,;-4.15,-3.25,;-2.82,-2.48,;-2.82,-.94,;-1.48,-.17,;-1.48,1.37,;-2.82,2.14,;-4.15,1.37,;-5.48,2.14,;-4.15,-.17,)|
Show InChI InChI=1S/C26H26F3N5O3S/c1-38(37)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-,38?/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377223
PNG
(US10265307, Example 59-2 | US10517858, Example 59 ...)
Show SMILES CS(=O)c1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnc2[C@H](O)CCc2c1N1CCC[C@H](N)C1 |r,wU:35.39,wD:25.27,(5.19,6.76,;3.85,5.99,;2.52,6.76,;3.85,4.45,;2.52,3.68,;2.52,2.14,;1.18,1.37,;3.85,1.37,;5.19,2.14,;6.52,1.37,;5.19,3.68,;3.85,-.17,;2.52,-.94,;2.52,-2.48,;3.85,-3.25,;5.19,-2.48,;5.19,-.94,;6.52,-.17,;1.18,-3.25,;1.18,-4.79,;-.15,-2.48,;-1.48,-3.25,;-1.48,-4.79,;-2.82,-5.56,;-4.15,-4.79,;-5.61,-5.27,;-6.01,-6.76,;-6.52,-4.02,;-5.61,-2.78,;-4.15,-3.25,;-2.82,-2.48,;-2.82,-.94,;-1.48,-.17,;-1.48,1.37,;-2.82,2.14,;-4.15,1.37,;-5.48,2.14,;-4.15,-.17,)|
Show InChI InChI=1S/C26H26F3N5O3S/c1-38(37)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+,38?/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377224
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)cc(cc1F)S(C)=O |r,wU:12.13,3.3,1.0,(-.15,2.14,;-1.48,1.37,;-2.82,2.14,;-4.15,1.37,;-5.48,2.14,;-4.15,-.17,;-2.82,-.94,;-1.48,-.17,;-2.82,-2.48,;-4.15,-3.25,;-5.61,-2.78,;-6.52,-4.02,;-5.61,-5.27,;-6.01,-6.76,;-4.15,-4.79,;-2.82,-5.56,;-1.48,-4.79,;-1.48,-3.25,;-.15,-2.48,;1.18,-3.25,;1.18,-4.79,;2.52,-2.48,;3.85,-3.25,;5.19,-2.48,;5.19,-.94,;6.52,-.17,;3.85,-.17,;2.52,-.94,;3.85,1.37,;2.52,2.14,;1.18,1.37,;2.52,3.68,;3.85,4.45,;5.19,3.68,;5.19,2.14,;6.52,1.37,;3.85,5.99,;5.19,6.76,;2.52,6.76,)|
Show InChI InChI=1S/C27H28F3N5O3S/c1-13-7-14(31)12-35(11-13)26-16-3-6-22(36)24(16)32-10-21(26)34-27(37)20-5-4-17(28)25(33-20)23-18(29)8-15(39(2)38)9-19(23)30/h4-5,8-10,13-14,22,36H,3,6-7,11-12,31H2,1-2H3,(H,34,37)/t13-,14+,22+,39?/m1/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM377225
PNG
(US10265307, Example 60-2 | US10517858, Example 60 ...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)S(C)=O |r,wU:3.3,1.0,wD:12.13,(-.15,2.14,;-1.48,1.37,;-2.82,2.14,;-4.15,1.37,;-5.48,2.14,;-4.15,-.17,;-2.82,-.94,;-1.48,-.17,;-2.82,-2.48,;-4.15,-3.25,;-5.61,-2.78,;-6.52,-4.02,;-5.61,-5.27,;-6.01,-6.76,;-4.15,-4.79,;-2.82,-5.56,;-1.48,-4.79,;-1.48,-3.25,;-.15,-2.48,;1.18,-3.25,;1.18,-4.79,;2.52,-2.48,;3.85,-3.25,;5.19,-2.48,;5.19,-.94,;6.52,-.17,;3.85,-.17,;2.52,-.94,;3.85,1.37,;2.52,2.14,;1.18,1.37,;2.52,3.68,;3.85,4.45,;5.19,3.68,;5.19,2.14,;6.52,1.37,;3.85,5.99,;5.19,6.76,;2.52,6.76,)|
Show InChI InChI=1S/C27H28F3N5O3S/c1-13-7-14(31)12-35(11-13)26-16-3-6-22(36)24(16)32-10-21(26)34-27(37)20-5-4-17(28)25(33-20)23-18(29)8-15(39(2)38)9-19(23)30/h4-5,8-10,13-14,22,36H,3,6-7,11-12,31H2,1-2H3,(H,34,37)/t13-,14+,22-,39?/m1/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377227
PNG
(US10265307, Example 61-2 | US10517858, Example 61 ...)
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:36.40,wD:26.28,(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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM377228
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(cnc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H25F2N7O2/c25-14-4-1-5-15(26)19(14)16-9-30-23(28)21(31-16)24(35)32-17-10-29-20-13(6-7-18(20)34)22(17)33-8-2-3-12(27)11-33/h1,4-5,9-10,12,18,34H,2-3,6-8,11,27H2,(H2,28,30)(H,32,35)/t12-,18-/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM377230
PNG
(N-{4-[(3R,5S)-3-Amino-4-hydroxy-4,5-dimethylpiperi...)
Show SMILES C[C@H]1CN(C[C@@H](N)C1(C)O)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:14.15,5.5,1.0,(-.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,;-3.59,4.63,;-2.05,4.63,;-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/C27H28F3N5O3/c1-13-11-35(12-21(31)27(13,2)38)25-14-6-9-20(36)23(14)32-10-19(25)34-26(37)18-8-7-17(30)24(33-18)22-15(28)4-3-5-16(22)29/h3-5,7-8,10,13,20-21,36,38H,6,9,11-12,31H2,1-2H3,(H,34,37)/t13-,20-,21+,27?/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377230
PNG
(N-{4-[(3R,5S)-3-Amino-4-hydroxy-4,5-dimethylpiperi...)
Show SMILES C[C@H]1CN(C[C@@H](N)C1(C)O)c1c2CC[C@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:14.15,5.5,1.0,(-.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,;-3.59,4.63,;-2.05,4.63,;-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/C27H28F3N5O3/c1-13-11-35(12-21(31)27(13,2)38)25-14-6-9-20(36)23(14)32-10-19(25)34-26(37)18-8-7-17(30)24(33-18)22-15(28)4-3-5-16(22)29/h3-5,7-8,10,13,20-21,36,38H,6,9,11-12,31H2,1-2H3,(H,34,37)/t13-,20-,21+,27?/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377234
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)cc(cc1F)C(C)(C)O |r,wU:5.5,1.0,wD:7.8,(-.15,1.15,;-1.48,.38,;-1.48,-1.15,;-2.82,-1.93,;-4.15,-1.15,;-4.15,.38,;-5.48,1.15,;-2.82,1.15,;-2.82,2.69,;-2.82,-3.47,;-4.15,-4.23,;-5.61,-3.76,;-6.52,-5,;-5.61,-6.25,;-4.15,-5.78,;-2.82,-6.54,;-1.48,-5.78,;-1.48,-4.23,;-.15,-3.47,;1.18,-4.23,;1.18,-5.78,;2.52,-3.47,;3.85,-4.24,;5.19,-3.47,;5.19,-1.93,;6.52,-1.15,;3.85,-1.15,;2.52,-1.93,;3.85,.38,;2.52,1.15,;1.18,.38,;2.52,2.69,;3.85,3.47,;5.19,2.69,;5.19,1.15,;6.52,.38,;3.85,5,;2.52,5.78,;3.85,6.54,;5.19,5.77,)|
Show InChI InChI=1S/C28H30F3N5O4/c1-13-11-36(12-19(32)25(13)37)24-15-6-7-40-27(15)33-10-21(24)35-26(38)20-5-4-16(29)23(34-20)22-17(30)8-14(9-18(22)31)28(2,3)39/h4-5,8-10,13,19,25,37,39H,6-7,11-12,32H2,1-3H3,(H,35,38)/t13-,19+,25+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377235
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES COCc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnc2C(O)CCc2c1N1C[C@H](C)[C@@H](O)[C@H](N)C1 |r,wU:37.41,33.37,wD:35.39,(5.19,7.53,;5.19,5.99,;3.85,5.22,;3.85,3.68,;2.52,2.91,;2.52,1.37,;1.18,.6,;3.85,.6,;5.19,1.37,;6.52,.6,;5.19,2.91,;3.85,-.94,;2.52,-1.71,;2.52,-3.25,;3.85,-4.02,;5.19,-3.25,;5.19,-1.71,;6.52,-.94,;1.18,-4.02,;1.18,-5.56,;-.15,-3.25,;-1.48,-4.02,;-1.48,-5.56,;-2.82,-6.33,;-4.15,-5.56,;-5.61,-6.04,;-6.01,-7.53,;-6.52,-4.79,;-5.61,-3.55,;-4.15,-4.02,;-2.82,-3.25,;-2.82,-1.71,;-1.48,-.94,;-1.48,.6,;-.15,1.37,;-2.82,1.37,;-2.82,2.91,;-4.15,.6,;-5.48,1.37,;-4.15,-.94,)|
Show InChI InChI=1S/C28H30F3N5O4/c1-13-10-36(11-19(32)27(13)38)26-15-3-6-22(37)24(15)33-9-21(26)35-28(39)20-5-4-16(29)25(34-20)23-17(30)7-14(12-40-2)8-18(23)31/h4-5,7-9,13,19,22,27,37-38H,3,6,10-12,32H2,1-2H3,(H,35,39)/t13-,19+,22?,27+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM377242
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)cc(OC2CCCOC2)cc1F |r,wU:3.3,1.0,12.13,(-.82,.98,;-2.15,.21,;-3.48,.98,;-4.82,.21,;-6.15,.98,;-4.82,-1.33,;-3.48,-2.1,;-2.15,-1.33,;-3.48,-3.64,;-4.82,-4.41,;-6.28,-3.93,;-7.19,-5.18,;-6.28,-6.42,;-6.68,-7.91,;-4.82,-5.95,;-3.48,-6.72,;-2.15,-5.95,;-2.15,-4.41,;-.82,-3.64,;.52,-4.41,;.52,-5.95,;1.85,-3.64,;3.19,-4.41,;4.52,-3.64,;4.52,-2.1,;5.85,-1.33,;3.19,-1.33,;1.85,-2.1,;3.19,.21,;1.85,.98,;.52,.21,;1.85,2.52,;3.19,3.29,;3.19,4.83,;4.52,5.6,;4.52,7.14,;5.85,7.91,;7.19,7.14,;7.19,5.6,;5.85,4.83,;4.52,2.52,;4.52,.98,;5.85,.21,)|
Show InChI InChI=1S/C31H34F3N5O4/c1-16-9-17(35)14-39(13-16)30-20-4-7-26(40)28(20)36-12-25(30)38-31(41)24-6-5-21(32)29(37-24)27-22(33)10-19(11-23(27)34)43-18-3-2-8-42-15-18/h5-6,10-12,16-18,26,40H,2-4,7-9,13-15,35H2,1H3,(H,38,41)/t16-,17+,18?,26+/m1/s1
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Curacyte Chemistry GmbH



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

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377244
PNG
(3-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(c(F)cc1N)-c1c(F)cccc1F |r,wU:5.5,1.0,wD:7.8,(-.15,2.69,;-1.48,1.93,;-1.48,.38,;-2.82,-.38,;-4.15,.38,;-4.15,1.93,;-5.48,2.69,;-2.82,2.69,;-2.82,4.23,;-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/C25H25F3N6O3/c1-11-9-34(10-17(30)23(11)35)22-12-5-6-37-25(12)31-8-18(22)32-24(36)21-16(29)7-15(28)20(33-21)19-13(26)3-2-4-14(19)27/h2-4,7-8,11,17,23,35H,5-6,9-10,29-30H2,1H3,(H,32,36)/t11-,17+,23+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377248
PNG
(N-{4-[(3S,5R)-3-Amino-5-(trifluoromethyl)piperidin...)
Show SMILES CC(C)(O)c1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnc2[C@@H](O)CCc2c1N1C[C@@H](N)C[C@H](C1)C(F)(F)F |r,wU:34.38,37.43,26.28,(7.85,-2.21,;7.85,-3.75,;7.85,-5.29,;9.19,-2.98,;6.52,-2.98,;6.52,-1.44,;5.19,-.67,;5.19,.87,;3.85,-1.44,;3.85,-2.98,;2.52,-3.75,;5.19,-3.75,;2.52,-.67,;1.18,-1.44,;-.15,-.67,;-.15,.87,;1.18,1.64,;2.52,.87,;3.85,1.64,;-1.48,-1.44,;-1.48,-2.98,;-2.82,-.67,;-4.15,-1.44,;-4.15,-2.98,;-5.48,-3.75,;-6.82,-2.98,;-8.28,-3.45,;-8.68,-4.94,;-9.19,-2.21,;-8.28,-.96,;-6.82,-1.44,;-5.48,-.67,;-5.48,.87,;-6.82,1.64,;-6.82,3.18,;-8.15,3.95,;-5.48,3.95,;-4.15,3.18,;-4.15,1.64,;-2.82,3.95,;-1.48,4.72,;-2.05,2.62,;-3.59,5.29,)|
Show InChI InChI=1S/C29H29F6N5O3/c1-28(2,43)13-8-18(31)23(19(32)9-13)25-17(30)4-5-20(38-25)27(42)39-21-10-37-24-16(3-6-22(24)41)26(21)40-11-14(29(33,34)35)7-15(36)12-40/h4-5,8-10,14-15,22,41,43H,3,6-7,11-12,36H2,1-2H3,(H,39,42)/t14-,15+,22+/m1/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377250
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-2,3-...)
Show SMILES COc1ccc(F)c(c1F)-c1nc(ccc1F)C(=O)Nc1cnc2OCCc2c1N1C[C@H](C)C[C@H](N)C1 |r,wU:34.38,31.35,(7.19,4.24,;5.85,5.01,;4.52,4.24,;3.19,5,;1.85,4.24,;1.85,2.7,;.52,1.93,;3.19,1.92,;4.52,2.7,;5.85,1.93,;3.19,.38,;1.85,-.39,;1.85,-1.93,;3.19,-2.7,;4.52,-1.93,;4.52,-.39,;5.85,.38,;.52,-2.7,;.52,-4.24,;-.82,-1.93,;-2.15,-2.7,;-2.15,-4.24,;-3.48,-5.01,;-4.82,-4.24,;-6.28,-4.71,;-7.19,-3.47,;-6.28,-2.22,;-4.82,-2.7,;-3.48,-1.93,;-3.48,-.39,;-2.15,.38,;-2.15,1.92,;-.82,2.69,;-3.48,2.69,;-4.82,1.92,;-6.15,2.69,;-4.82,.38,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-13-9-14(30)12-34(11-13)24-15-7-8-37-26(15)31-10-19(24)33-25(35)18-5-3-17(28)23(32-18)21-16(27)4-6-20(36-2)22(21)29/h3-6,10,13-14H,7-9,11-12,30H2,1-2H3,(H,33,35)/t13-,14+/m1/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377250
PNG
(N-{4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]-2,3-...)
Show SMILES COc1ccc(F)c(c1F)-c1nc(ccc1F)C(=O)Nc1cnc2OCCc2c1N1C[C@H](C)C[C@H](N)C1 |r,wU:34.38,31.35,(7.19,4.24,;5.85,5.01,;4.52,4.24,;3.19,5,;1.85,4.24,;1.85,2.7,;.52,1.93,;3.19,1.92,;4.52,2.7,;5.85,1.93,;3.19,.38,;1.85,-.39,;1.85,-1.93,;3.19,-2.7,;4.52,-1.93,;4.52,-.39,;5.85,.38,;.52,-2.7,;.52,-4.24,;-.82,-1.93,;-2.15,-2.7,;-2.15,-4.24,;-3.48,-5.01,;-4.82,-4.24,;-6.28,-4.71,;-7.19,-3.47,;-6.28,-2.22,;-4.82,-2.7,;-3.48,-1.93,;-3.48,-.39,;-2.15,.38,;-2.15,1.92,;-.82,2.69,;-3.48,2.69,;-4.82,1.92,;-6.15,2.69,;-4.82,.38,)|
Show InChI InChI=1S/C26H26F3N5O3/c1-13-9-14(30)12-34(11-13)24-15-7-8-37-26(15)31-10-19(24)33-25(35)18-5-3-17(28)23(32-18)21-16(27)4-6-20(36-2)22(21)29/h3-6,10,13-14H,7-9,11-12,30H2,1-2H3,(H,33,35)/t13-,14+/m1/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377252
PNG
(N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperid...)
Show SMILES COc1ccc(F)c(c1F)-c1nc(ccc1F)C(=O)Nc1cnc2OCCc2c1N1C[C@H](C)[C@@H](O)[C@H](N)C1 |r,wU:35.39,31.35,wD:33.37,(7.19,4.24,;5.85,5.01,;4.52,4.24,;3.19,5,;1.85,4.24,;1.85,2.7,;.52,1.93,;3.19,1.92,;4.52,2.7,;5.85,1.93,;3.19,.38,;1.85,-.39,;1.85,-1.93,;3.19,-2.7,;4.52,-1.93,;4.52,-.39,;5.85,.38,;.52,-2.7,;.52,-4.24,;-.82,-1.93,;-2.15,-2.7,;-2.15,-4.24,;-3.48,-5.01,;-4.82,-4.24,;-6.28,-4.71,;-7.19,-3.47,;-6.28,-2.22,;-4.82,-2.7,;-3.48,-1.93,;-3.48,-.39,;-2.15,.38,;-2.15,1.92,;-.82,2.69,;-3.48,2.69,;-3.48,4.23,;-4.82,1.92,;-6.15,2.69,;-4.82,.38,)|
Show InChI InChI=1S/C26H26F3N5O4/c1-12-10-34(11-16(30)24(12)35)23-13-7-8-38-26(13)31-9-18(23)33-25(36)17-5-3-15(28)22(32-17)20-14(27)4-6-19(37-2)21(20)29/h3-6,9,12,16,24,35H,7-8,10-11,30H2,1-2H3,(H,33,36)/t12-,16+,24+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377254
PNG
(5-Amino-N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-4,5-dim...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@]1(C)O)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H26F2N6O3S/c1-11-9-32(10-16(27)24(11,2)34)19-12-6-7-35-22(12)29-8-15(19)30-21(33)18-20(28)36-23(31-18)17-13(25)4-3-5-14(17)26/h3-5,8,11,16,34H,6-7,9-10,27-28H2,1-2H3,(H,30,33)/t11-,16+,24+/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377147
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]thieno[2,3-b]pyri...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnc2sccc12 |r|
Show InChI InChI=1S/C22H19F2N5OS2/c23-14-4-1-5-15(24)18(14)22-28-17(11-32-22)20(30)27-16-9-26-21-13(6-8-31-21)19(16)29-7-2-3-12(25)10-29/h1,4-6,8-9,11-12H,2-3,7,10,25H2,(H,27,30)/t12-/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM377157
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-6,7-dihy...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCCc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6OS/c24-14-6-2-7-15(25)18(14)23-30-19(21(27)33-23)22(32)29-17-10-28-16-8-1-5-13(16)20(17)31-9-3-4-12(26)11-31/h2,6-7,10,12H,1,3-5,8-9,11,26-27H2,(H,29,32)/t12-/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM377158
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-hydrox...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H24F2N6O2S/c24-13-4-1-5-14(25)17(13)23-30-19(21(27)34-23)22(33)29-15-9-28-18-12(6-7-16(18)32)20(15)31-8-2-3-11(26)10-31/h1,4-5,9,11,16,32H,2-3,6-8,10,26-27H2,(H,29,33)/t11-,16-/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM377162
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-methox...)
Show SMILES COC1CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-34-17-8-7-13-19(17)29-10-16(21(13)32-9-3-4-12(27)11-32)30-23(33)20-22(28)35-24(31-20)18-14(25)5-2-6-15(18)26/h2,5-6,10,12,17H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,17?/m0/s1
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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 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



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

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Curacyte Chemistry GmbH



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

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%