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Compile Data Set for Download or QSAR

Found 324 hits Enz. Inhib. hit(s) with all data for entry = 2730   
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))
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))
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-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))
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-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-3


(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-2


(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))
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-1


(Homo sapiens (Human))
BDBM377159
PNG
(US10265307, Example 15-2 | US10517858, Example 15 ...)
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-2


(Homo sapiens (Human))
BDBM377159
PNG
(US10265307, Example 15-2 | US10517858, Example 15 ...)
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))
BDBM377159
PNG
(US10265307, Example 15-2 | US10517858, Example 15 ...)
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-1


(Homo sapiens (Human))
BDBM377160
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)c1csc(n1)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N5O2S/c24-14-4-1-5-15(25)19(14)23-29-17(11-33-23)22(32)28-16-9-27-20-13(6-7-18(20)31)21(16)30-8-2-3-12(26)10-30/h1,4-5,9,11-12,18,31H,2-3,6-8,10,26H2,(H,28,32)/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-3


(Homo sapiens (Human))
BDBM377160
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)c1csc(n1)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N5O2S/c24-14-4-1-5-15(25)19(14)23-29-17(11-33-23)22(32)28-16-9-27-20-13(6-7-18(20)31)21(16)30-8-2-3-12(26)10-30/h1,4-5,9,11-12,18,31H,2-3,6-8,10,26H2,(H,28,32)/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))
BDBM377161
PNG
(US10265307, Example 16-2 | US10517858, Example 16 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N5O2S/c24-14-4-1-5-15(25)19(14)23-29-17(11-33-23)22(32)28-16-9-27-20-13(6-7-18(20)31)21(16)30-8-2-3-12(26)10-30/h1,4-5,9,11-12,18,31H,2-3,6-8,10,26H2,(H,28,32)/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-3


(Homo sapiens (Human))
BDBM377161
PNG
(US10265307, Example 16-2 | US10517858, Example 16 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N5O2S/c24-14-4-1-5-15(25)19(14)23-29-17(11-33-23)22(32)28-16-9-27-20-13(6-7-18(20)31)21(16)30-8-2-3-12(26)10-30/h1,4-5,9,11-12,18,31H,2-3,6-8,10,26H2,(H,28,32)/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))
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))
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-2


(Homo sapiens (Human))
BDBM377167
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-oxo-6,...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCC(=O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H22F2N6O2S/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/h1,4-5,9,11H,2-3,6-8,10,26-27H2,(H,29,33)/t11-/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))
BDBM377167
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-oxo-6,...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCC(=O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H22F2N6O2S/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/h1,4-5,9,11H,2-3,6-8,10,26-27H2,(H,29,33)/t11-/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))
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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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))
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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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))
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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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))
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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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))
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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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))
BDBM377170
PNG
(US10265307, Example 22-2 | US11229631, Example 22 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-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,;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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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))
BDBM377170
PNG
(US10265307, Example 22-2 | US11229631, Example 22 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-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,;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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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))
BDBM377170
PNG
(US10265307, Example 22-2 | US11229631, Example 22 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](O)c2ncc1NC(=O)c1ccc(F)c(n1)-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,;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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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))
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-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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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-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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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))
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-1


(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))
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-1


(Homo sapiens (Human))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
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-/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))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
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-/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))
BDBM377165
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-hydrox...)
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-1


(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-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-1


(Homo sapiens (Human))
BDBM377167
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-7-oxo-6,...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCC(=O)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H22F2N6O2S/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/h1,4-5,9,11H,2-3,6-8,10,26-27H2,(H,29,33)/t11-/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-1


(Homo sapiens (Human))
BDBM377148
PNG
(5-Amino-N-{7-[(3S)-3-aminopiperidin-1-yl]thieno[3,...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnc2ccsc12 |r|
Show InChI InChI=1S/C22H20F2N6OS2/c23-12-4-1-5-13(24)16(12)22-29-17(20(26)33-22)21(31)28-15-9-27-14-6-8-32-19(14)18(15)30-7-2-3-11(25)10-30/h1,4-6,8-9,11H,2-3,7,10,25-26H2,(H,28,31)/t11-/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))
BDBM377151
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-1H-pyrrolo[2,3-b...)
Show SMILES N[C@H]1CCCN(C1)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnc2[nH]ccc12 |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))
BDBM377152
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-2,3-dihy...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O2S/c23-13-4-1-5-14(24)16(13)22-29-17(19(26)33-22)20(31)28-15-9-27-21-12(6-8-32-21)18(15)30-7-2-3-11(25)10-30/h1,4-5,9,11H,2-3,6-8,10,25-26H2,(H,28,31)/t11-/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))
BDBM377152
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-2,3-dihy...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O2S/c23-13-4-1-5-14(24)16(13)22-29-17(19(26)33-22)20(31)28-15-9-27-21-12(6-8-32-21)18(15)30-7-2-3-11(25)10-30/h1,4-5,9,11H,2-3,6-8,10,25-26H2,(H,28,31)/t11-/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))
BDBM377152
PNG
(5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-2,3-dihy...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCOc2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O2S/c23-13-4-1-5-14(24)16(13)22-29-17(19(26)33-22)20(31)28-15-9-27-21-12(6-8-32-21)18(15)30-7-2-3-11(25)10-30/h1,4-5,9,11H,2-3,6-8,10,25-26H2,(H,28,31)/t11-/m0/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-1


(Homo sapiens (Human))
BDBM377153
PNG
(N-{4-[(3S)-3-Aminopiperidin-1-yl]-2,3-dihydrofuro[...)
Show SMILES N[C@H]1CCCN(C1)c1c2CCOc2ncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H21F2N5O2S/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/h1,4-5,9,11-12H,2-3,6-8,10,25H2,(H,27,30)/t12-/m0/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
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