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Compile Data Set for Download or QSAR

Found 417 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6059   
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))
BDBM106908
PNG
(US8592455, 108)
Show SMILES Cc1ccc(F)c(c1)-c1cccc(n1)C(=O)Nc1cnccc1[C@H]1C[C@@H](N)C[C@H](C1)C(F)(F)F |r|
Show InChI InChI=1S/C25H24F4N4O/c1-14-5-6-20(26)19(9-14)21-3-2-4-22(32-21)24(34)33-23-13-31-8-7-18(23)15-10-16(25(27,28)29)12-17(30)11-15/h2-9,13,15-17H,10-12,30H2,1H3,(H,33,34)/t15-,16+,17-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106909
PNG
(US8592455, 280)
Show SMILES COc1cc(F)c(c(F)c1)-c1cccc(n1)C(=O)Nc1cnccc1[C@H]1C[C@@H](N)C[C@H](C1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F5N4O2/c1-36-16-10-18(26)23(19(27)11-16)20-3-2-4-21(33-20)24(35)34-22-12-32-6-5-17(22)13-7-14(25(28,29)30)9-15(31)8-13/h2-6,10-15H,7-9,31H2,1H3,(H,34,35)/t13-,14+,15-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106910
PNG
(US8592455, 110)
Show SMILES N[C@@H]1C[C@@H](C[C@@H](C1)C(F)(F)F)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:3.11,1.0,5.7,(,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,2.69,;-6.1,1.36,;-4.56,4.03,;-6.67,3.47,;-2.67,-1.93,;-4,-2.69,;-4,-4.23,;-2.67,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-1.93,;2.67,-.38,;4,.38,;5.33,-.38,;6.67,.38,;5.33,-1.93,;4,-2.69,;4,-4.23,;4,1.93,;5.33,2.69,;6.67,1.93,;5.33,4.23,;4,5,;2.67,4.23,;2.67,2.69,;1.33,1.93,)|
Show InChI InChI=1S/C24H21F6N5O/c25-15-2-1-3-16(26)20(15)21-17(27)9-18(32)22(35-21)23(36)34-19-10-33-5-4-14(19)11-6-12(24(28,29)30)8-13(31)7-11/h1-5,9-13H,6-8,31-32H2,(H,34,36)/t11-,12+,13-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106912
PNG
(US8592455, 112)
Show SMILES N[C@@H]1C[C@@H](C[C@@H](C1)C(F)(F)F)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H22F5N5O/c25-16-2-1-3-17(26)21(16)19-5-4-18(31)22(33-19)23(35)34-20-11-32-7-6-15(20)12-8-13(24(27,28)29)10-14(30)9-12/h1-7,11-14H,8-10,30-31H2,(H,34,35)/t12-,13+,14-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106914
PNG
(US8592455, 114)
Show SMILES C[C@H]1CN(C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-13-11-29(12-20(30)22(13)31)19-8-9-26-10-18(19)28-23(32)17-7-6-16(25)21(27-17)14-4-2-3-5-15(14)24/h2-10,13,20,22,30-31H,11-12H2,1H3,(H,28,32)/t13-,20+,22+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106915
PNG
(US8592455, 115)
Show SMILES C[C@H]1CN(C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1cccc(n1)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-13-11-29(12-20(30)22(13)31)19-8-9-26-10-18(19)28-23(32)17-7-3-6-16(27-17)21-14(24)4-2-5-15(21)25/h2-10,13,20,22,30-31H,11-12H2,1H3,(H,28,32)/t13-,20+,22+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106916
PNG
(US8592455, 116)
Show SMILES C[C@H]1CN(C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H21F3N4O3/c1-12-10-30(11-19(31)22(12)32)18-7-8-27-9-17(18)29-23(33)16-6-5-15(26)21(28-16)20-13(24)3-2-4-14(20)25/h2-9,12,19,22,31-32H,10-11H2,1H3,(H,29,33)/t12-,19+,22+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106917
PNG
(US8592455, 117)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H22F3N3O3/c1-12-9-13(10-20(31)23(12)32)14-7-8-28-11-19(14)30-24(33)18-6-5-17(27)22(29-18)21-15(25)3-2-4-16(21)26/h2-8,11-13,20,23,31-32H,9-10H2,1H3,(H,30,33)/t12-,13+,20+,23+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106919
PNG
(US8592455, 119)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccncc1F |r|
Show InChI InChI=1S/C22H22F2N6O2/c1-12-10-30(11-16(25)21(12)31)19-5-7-27-9-18(19)29-22(32)17-3-2-14(23)20(28-17)13-4-6-26-8-15(13)24/h2-9,12,16,21,31H,10-11,25H2,1H3,(H,29,32)/t12-,16+,21+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106921
PNG
(US8592455, 121)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.39,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O3/c1-11-7-12(8-19(32)23(11)33)13-5-6-29-10-18(13)30-24(34)22-17(28)9-16(27)21(31-22)20-14(25)3-2-4-15(20)26/h2-6,9-12,19,23,32-33H,7-8,28H2,1H3,(H,30,34)/t11-,12+,19+,23+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106922
PNG
(US8592455, 122)
Show SMILES CC1(C)C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:7.9,4.4,(-1,1.15,;-2,1.15,;-1.23,2.49,;-3.33,1.93,;-4.67,1.15,;-6,1.93,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;4.67,1.93,;6,1.15,;4.67,3.47,;3.33,4.23,;3.33,5.78,;2,3.47,;2,1.93,;.67,1.15,)|
Show InChI InChI=1S/C25H25F3N4O2/c1-25(2)10-13(7-14(29)11-25)16-5-6-30-12-21(16)32-24(34)20-4-3-17(26)23(31-20)22-18(27)8-15(33)9-19(22)28/h3-6,8-9,12-14,33H,7,10-11,29H2,1-2H3,(H,32,34)/t13-,14+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106923
PNG
(US8592455, 123)
Show SMILES COc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnccc1[C@H]1C[C@@H](N)CC(C)(C)C1 |r,wU:26.28,28.31,(2,6.16,;3.33,5.39,;3.33,3.85,;4.67,3.08,;4.67,1.54,;6,.77,;3.33,.77,;2,1.54,;.67,.77,;2,3.08,;3.33,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-4.67,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-3.33,1.54,;-2,.77,;-1,.77,;-1.23,2.1,;-2,-.77,)|
Show InChI InChI=1S/C26H27F3N4O2/c1-26(2)11-14(8-15(30)12-26)17-6-7-31-13-22(17)33-25(34)21-5-4-18(27)24(32-21)23-19(28)9-16(35-3)10-20(23)29/h4-7,9-10,13-15H,8,11-12,30H2,1-3H3,(H,33,34)/t14-,15+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106924
PNG
(US8592455, 124)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)ccc(O)c1F |r,wU:5.7,1.0,(-6,2.69,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-2,.38,;-3.33,-.39,;-4.67,.38,;-3.33,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;.67,-4.24,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.39,;6,.38,;3.33,.38,;2,-.39,;3.33,1.92,;2,2.69,;.67,1.92,;2,4.23,;3.33,5,;4.67,4.23,;6,5.01,;4.67,2.69,;6,1.92,)|
Show InChI InChI=1S/C23H21F3N4O2/c24-15-5-7-19(31)21(26)20(15)22-16(25)4-6-17(29-22)23(32)30-18-11-28-9-8-14(18)12-2-1-3-13(27)10-12/h4-9,11-13,31H,1-3,10,27H2,(H,30,32)/t12-,13+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106925
PNG
(US8592455, 125)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)ccc(O)c1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.92,;-3.33,2.69,;-4.67,1.92,;-6,2.69,;-4.67,.38,;-3.33,-.39,;-2,.38,;-3.33,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;.67,-4.24,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.39,;6,.38,;3.33,.38,;2,-.39,;3.33,1.92,;2,2.69,;.67,1.92,;2,4.23,;3.33,5,;4.67,4.23,;6,5.01,;4.67,2.69,;6,1.92,)|
Show InChI InChI=1S/C24H23F3N4O2/c1-12-8-13(10-14(28)9-12)15-6-7-29-11-19(15)31-24(33)18-4-2-17(26)23(30-18)21-16(25)3-5-20(32)22(21)27/h2-7,11-14,32H,8-10,28H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106928
PNG
(US8592455, 128)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:6.8,3.3,1.0,(-.67,1.93,;-2,1.15,;-3.33,1.93,;-4.67,1.15,;-6,1.93,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C24H23F3N4O2/c1-12-6-13(8-14(28)7-12)16-4-5-29-11-21(16)31-24(33)20-3-2-17(25)23(30-20)22-18(26)9-15(32)10-19(22)27/h2-5,9-14,32H,6-8,28H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106929
PNG
(US8592455, 129)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)ccc(F)c1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;6,5,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H22F4N4O/c1-12-8-13(10-14(29)9-12)15-6-7-30-11-20(15)32-24(33)19-5-4-18(27)23(31-19)21-16(25)2-3-17(26)22(21)28/h2-7,11-14H,8-10,29H2,1H3,(H,32,33)/t12-,13+,14-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106932
PNG
(US8592455, 132)
Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:3.9,1.0,5.5,7.8,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H24F3N5O2/c1-11-7-12(8-18(29)23(11)33)13-5-6-30-10-19(13)31-24(34)22-17(28)9-16(27)21(32-22)20-14(25)3-2-4-15(20)26/h2-6,9-12,18,23,33H,7-8,28-29H2,1H3,(H,31,34)/t11-,12+,18+,23-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106933
PNG
(US8592455, 133)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H24F3N5O/c1-12-7-13(9-14(28)8-12)15-5-6-30-11-20(15)31-24(33)23-19(29)10-18(27)22(32-23)21-16(25)3-2-4-17(21)26/h2-6,10-14H,7-9,28-29H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106937
PNG
(US8592455, 137)
Show SMILES CC1CC(O)C=C(C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |c:5,(-6,2.69,;-4.67,1.93,;-3.33,2.69,;-2,1.93,;-.67,2.69,;-2,.38,;-3.33,-.38,;-4.67,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H20F3N3O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)20-6-5-19(27)23(29-20)22-17(25)3-2-4-18(22)26/h2-8,11-13,15,31H,9-10H2,1H3,(H,30,32)
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106939
PNG
(US8592455, 139)
Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1F)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,3.9,7.8,1.0,(-.67,2.69,;-2,1.93,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H22F4N4O/c1-12-9-13(10-18(29)22(12)28)14-7-8-30-11-20(14)32-24(33)19-6-5-17(27)23(31-19)21-15(25)3-2-4-16(21)26/h2-8,11-13,18,22H,9-10,29H2,1H3,(H,32,33)/t12-,13+,18+,22-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106802
PNG
(US8592455, 2)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:7.8,wD:1.0,5.5,(-6,1.93,;-4.67,1.15,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-2,1.15,;-.67,1.93,;-3.33,1.93,;-3.33,3.47,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C23H22F3N5O3/c1-11-9-31(10-16(27)22(11)33)19-4-5-28-8-18(19)30-23(34)17-3-2-13(24)21(29-17)20-14(25)6-12(32)7-15(20)26/h2-8,11,16,22,32-33H,9-10,27H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106803
PNG
(US8592455, 3)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106900
PNG
(US8592455, 100)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:5.7,1.0,(-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-4,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-5,;-2.67,-4.23,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-1.93,;1.33,-.38,;2.67,.38,;4,-.38,;5.33,.38,;4,-1.93,;2.67,-2.69,;2.67,-4.23,;2.67,1.93,;4,2.69,;5.33,1.93,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;,1.93,)|
Show InChI InChI=1S/C23H22F3N5O/c24-15-5-2-6-16(25)20(15)21-17(26)10-18(28)22(31-21)23(32)30-19-11-29-8-7-14(19)12-3-1-4-13(27)9-12/h2,5-8,10-13H,1,3-4,9,27-28H2,(H,30,32)/t12-,13+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106910
PNG
(US8592455, 110)
Show SMILES N[C@@H]1C[C@@H](C[C@@H](C1)C(F)(F)F)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:3.11,1.0,5.7,(,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,2.69,;-6.1,1.36,;-4.56,4.03,;-6.67,3.47,;-2.67,-1.93,;-4,-2.69,;-4,-4.23,;-2.67,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-1.93,;2.67,-.38,;4,.38,;5.33,-.38,;6.67,.38,;5.33,-1.93,;4,-2.69,;4,-4.23,;4,1.93,;5.33,2.69,;6.67,1.93,;5.33,4.23,;4,5,;2.67,4.23,;2.67,2.69,;1.33,1.93,)|
Show InChI InChI=1S/C24H21F6N5O/c25-15-2-1-3-16(26)20(15)21-17(27)9-18(32)22(35-21)23(36)34-19-10-33-5-4-14(19)11-6-12(24(28,29)30)8-13(31)7-11/h1-5,9-13H,6-8,31-32H2,(H,34,36)/t11-,12+,13-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106912
PNG
(US8592455, 112)
Show SMILES N[C@@H]1C[C@@H](C[C@@H](C1)C(F)(F)F)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H22F5N5O/c25-16-2-1-3-17(26)21(16)19-5-4-18(31)22(33-19)23(35)34-20-11-32-7-6-15(20)12-8-13(24(27,28)29)10-14(30)9-12/h1-7,11-14H,8-10,30-31H2,(H,34,35)/t12-,13+,14-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106916
PNG
(US8592455, 116)
Show SMILES C[C@H]1CN(C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H21F3N4O3/c1-12-10-30(11-19(31)22(12)32)18-7-8-27-9-17(18)29-23(33)16-6-5-15(26)21(28-16)20-13(24)3-2-4-14(20)25/h2-9,12,19,22,31-32H,10-11H2,1H3,(H,29,33)/t12-,19+,22+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106921
PNG
(US8592455, 121)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.39,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O3/c1-11-7-12(8-19(32)23(11)33)13-5-6-29-10-18(13)30-24(34)22-17(28)9-16(27)21(31-22)20-14(25)3-2-4-15(20)26/h2-6,9-12,19,23,32-33H,7-8,28H2,1H3,(H,30,34)/t11-,12+,19+,23+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106925
PNG
(US8592455, 125)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)ccc(O)c1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.92,;-3.33,2.69,;-4.67,1.92,;-6,2.69,;-4.67,.38,;-3.33,-.39,;-2,.38,;-3.33,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;.67,-4.24,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.39,;6,.38,;3.33,.38,;2,-.39,;3.33,1.92,;2,2.69,;.67,1.92,;2,4.23,;3.33,5,;4.67,4.23,;6,5.01,;4.67,2.69,;6,1.92,)|
Show InChI InChI=1S/C24H23F3N4O2/c1-12-8-13(10-14(28)9-12)15-6-7-29-11-19(15)31-24(33)18-4-2-17(26)23(30-18)21-16(25)3-5-20(32)22(21)27/h2-7,11-14,32H,8-10,28H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106928
PNG
(US8592455, 128)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:6.8,3.3,1.0,(-.67,1.93,;-2,1.15,;-3.33,1.93,;-4.67,1.15,;-6,1.93,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C24H23F3N4O2/c1-12-6-13(8-14(28)7-12)16-4-5-29-11-21(16)31-24(33)20-3-2-17(25)23(30-20)22-18(26)9-15(32)10-19(22)27/h2-5,9-14,32H,6-8,28H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106802
PNG
(US8592455, 2)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:7.8,wD:1.0,5.5,(-6,1.93,;-4.67,1.15,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-2,1.15,;-.67,1.93,;-3.33,1.93,;-3.33,3.47,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C23H22F3N5O3/c1-11-9-31(10-16(27)22(11)33)19-4-5-28-8-18(19)30-23(34)17-3-2-13(24)21(29-17)20-14(25)6-12(32)7-15(20)26/h2-8,11,16,22,32-33H,9-10,27H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106803
PNG
(US8592455, 3)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106824
PNG
(US8592455, 24)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(ccc1F)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)21-15(26)5-6-17(29-21)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106851
PNG
(US8592455, 51)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.7,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H24F3N5O/c1-12-7-13(9-14(28)8-12)15-5-6-30-11-20(15)31-24(33)23-19(29)10-18(27)22(32-23)21-16(25)3-2-4-17(21)26/h2-6,10-14H,7-9,28-29H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106900
PNG
(US8592455, 100)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:5.7,1.0,(-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-4,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-5,;-2.67,-4.23,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-1.93,;1.33,-.38,;2.67,.38,;4,-.38,;5.33,.38,;4,-1.93,;2.67,-2.69,;2.67,-4.23,;2.67,1.93,;4,2.69,;5.33,1.93,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;,1.93,)|
Show InChI InChI=1S/C23H22F3N5O/c24-15-5-2-6-16(25)20(15)21-17(26)10-18(28)22(31-21)23(32)30-19-11-29-8-7-14(19)12-3-1-4-13(27)9-12/h2,5-8,10-13H,1,3-4,9,27-28H2,(H,30,32)/t12-,13+/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106910
PNG
(US8592455, 110)
Show SMILES N[C@@H]1C[C@@H](C[C@@H](C1)C(F)(F)F)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:3.11,1.0,5.7,(,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,2.69,;-6.1,1.36,;-4.56,4.03,;-6.67,3.47,;-2.67,-1.93,;-4,-2.69,;-4,-4.23,;-2.67,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-1.93,;2.67,-.38,;4,.38,;5.33,-.38,;6.67,.38,;5.33,-1.93,;4,-2.69,;4,-4.23,;4,1.93,;5.33,2.69,;6.67,1.93,;5.33,4.23,;4,5,;2.67,4.23,;2.67,2.69,;1.33,1.93,)|
Show InChI InChI=1S/C24H21F6N5O/c25-15-2-1-3-16(26)20(15)21-17(27)9-18(32)22(35-21)23(36)34-19-10-33-5-4-14(19)11-6-12(24(28,29)30)8-13(31)7-11/h1-5,9-13H,6-8,31-32H2,(H,34,36)/t11-,12+,13-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106912
PNG
(US8592455, 112)
Show SMILES N[C@@H]1C[C@@H](C[C@@H](C1)C(F)(F)F)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H22F5N5O/c25-16-2-1-3-17(26)21(16)19-5-4-18(31)22(33-19)23(35)34-20-11-32-7-6-15(20)12-8-13(24(27,28)29)10-14(30)9-12/h1-7,11-14H,8-10,30-31H2,(H,34,35)/t12-,13+,14-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106914
PNG
(US8592455, 114)
Show SMILES C[C@H]1CN(C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-13-11-29(12-20(30)22(13)31)19-8-9-26-10-18(19)28-23(32)17-7-6-16(25)21(27-17)14-4-2-3-5-15(14)24/h2-10,13,20,22,30-31H,11-12H2,1H3,(H,28,32)/t13-,20+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106915
PNG
(US8592455, 115)
Show SMILES C[C@H]1CN(C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1cccc(n1)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-13-11-29(12-20(30)22(13)31)19-8-9-26-10-18(19)28-23(32)17-7-3-6-16(27-17)21-14(24)4-2-5-15(21)25/h2-10,13,20,22,30-31H,11-12H2,1H3,(H,28,32)/t13-,20+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106916
PNG
(US8592455, 116)
Show SMILES C[C@H]1CN(C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H21F3N4O3/c1-12-10-30(11-19(31)22(12)32)18-7-8-27-9-17(18)29-23(33)16-6-5-15(26)21(28-16)20-13(24)3-2-4-14(20)25/h2-9,12,19,22,31-32H,10-11H2,1H3,(H,29,33)/t12-,19+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106924
PNG
(US8592455, 124)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)ccc(O)c1F |r,wU:5.7,1.0,(-6,2.69,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-2,.38,;-3.33,-.39,;-4.67,.38,;-3.33,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;.67,-4.24,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.39,;6,.38,;3.33,.38,;2,-.39,;3.33,1.92,;2,2.69,;.67,1.92,;2,4.23,;3.33,5,;4.67,4.23,;6,5.01,;4.67,2.69,;6,1.92,)|
Show InChI InChI=1S/C23H21F3N4O2/c24-15-5-7-19(31)21(26)20(15)22-16(25)4-6-17(29-22)23(32)30-18-11-28-9-8-14(18)12-2-1-3-13(27)10-12/h4-9,11-13,31H,1-3,10,27H2,(H,30,32)/t12-,13+/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106925
PNG
(US8592455, 125)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)ccc(O)c1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.92,;-3.33,2.69,;-4.67,1.92,;-6,2.69,;-4.67,.38,;-3.33,-.39,;-2,.38,;-3.33,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;.67,-4.24,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.39,;6,.38,;3.33,.38,;2,-.39,;3.33,1.92,;2,2.69,;.67,1.92,;2,4.23,;3.33,5,;4.67,4.23,;6,5.01,;4.67,2.69,;6,1.92,)|
Show InChI InChI=1S/C24H23F3N4O2/c1-12-8-13(10-14(28)9-12)15-6-7-29-11-19(15)31-24(33)18-4-2-17(26)23(30-18)21-16(25)3-5-20(32)22(21)27/h2-7,11-14,32H,8-10,28H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106928
PNG
(US8592455, 128)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:6.8,3.3,1.0,(-.67,1.93,;-2,1.15,;-3.33,1.93,;-4.67,1.15,;-6,1.93,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C24H23F3N4O2/c1-12-6-13(8-14(28)7-12)16-4-5-29-11-21(16)31-24(33)20-3-2-17(25)23(30-20)22-18(26)9-15(32)10-19(22)27/h2-5,9-14,32H,6-8,28H2,1H3,(H,31,33)/t12-,13+,14-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106801
PNG
(US8592455, 1)
Show SMILES C[C@@H]1C[C@H](O)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H22F3N3O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)20-6-5-19(27)23(29-20)22-17(25)3-2-4-18(22)26/h2-8,12-15,31H,9-11H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106802
PNG
(US8592455, 2)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:7.8,wD:1.0,5.5,(-6,1.93,;-4.67,1.15,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-2,1.15,;-.67,1.93,;-3.33,1.93,;-3.33,3.47,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C23H22F3N5O3/c1-11-9-31(10-16(27)22(11)33)19-4-5-28-8-18(19)30-23(34)17-3-2-13(24)21(29-17)20-14(25)6-12(32)7-15(20)26/h2-8,11,16,22,32-33H,9-10,27H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106803
PNG
(US8592455, 3)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106804
PNG
(US8592455, 4)
Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,1.93,;-4.67,1.15,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-2,1.15,;-.67,1.93,;-3.33,1.93,;-3.33,3.47,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C24H23F3N4O3/c1-11-6-12(7-18(28)23(11)33)14-4-5-29-10-20(14)31-24(34)19-3-2-15(25)22(30-19)21-16(26)8-13(32)9-17(21)27/h2-5,8-12,18,23,32-33H,6-7,28H2,1H3,(H,31,34)/t11-,12+,18+,23+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106807
PNG
(US8592455, 7)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1cccc(n1)-c1cc(O)ccc1F |r|
Show InChI InChI=1S/C23H23FN4O2/c24-19-8-7-16(29)12-18(19)20-5-2-6-21(27-20)23(30)28-22-13-26-10-9-17(22)14-3-1-4-15(25)11-14/h2,5-10,12-15,29H,1,3-4,11,25H2,(H,28,30)/t14-,15+/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106808
PNG
(US8592455, 8)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1cccc(n1)-c1c(F)cc(O)cc1F |r|
Show InChI InChI=1S/C23H22F2N4O2/c24-17-10-15(30)11-18(25)22(17)19-5-2-6-20(28-19)23(31)29-21-12-27-8-7-16(21)13-3-1-4-14(26)9-13/h2,5-8,10-14,30H,1,3-4,9,26H2,(H,29,31)/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
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