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Patent code US9452998

Compile Data Set for Download or QSAR

Found 274 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM251572
PNG
(US9452998, Table 4 Compound 2)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1F
Show InChI InChI=1S/C21H22FN7O/c22-15-4-2-1-3-14(15)16-12-26-20(24)19(27-16)21(30)28-17-11-25-8-5-18(17)29-9-6-13(23)7-10-29/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,28,30)
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251507
PNG
(US9452998, 56 | US9452998, 76)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H29F3N8O2/c27-26(28,29)19-4-3-17(36-10-12-39-13-11-36)14-18(19)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-7-32-24)37-8-5-16(30)6-9-37/h1-4,7,14-16H,5-6,8-13,30H2,(H2,31,33)(H,32,35,38)
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n/an/a 0.130n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251517
PNG
(US9452998, 66 | US9452998, 77)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H28F3N9O2/c26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36/h1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251544
PNG
(US9452998, 93)
Show SMILES Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1nc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H30F3N9O3/c27-26(28,29)16-3-4-19(38-10-12-41-13-11-38)35-20(16)17-14-33-22(30)21(34-17)24(40)36-23-18(2-1-7-32-23)37-8-5-25(31,15-39)6-9-37/h1-4,7,14,39H,5-6,8-13,15,31H2,(H2,30,33)(H,32,36,40)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251525
PNG
(US9452998, 74)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(Cl)c1C(F)(F)F
Show InChI InChI=1S/C22H22ClF3N8O/c1-21(28)5-9-34(10-6-21)14-3-2-7-30-19(14)33-20(35)17-18(27)31-11-13(32-17)16-15(22(24,25)26)12(23)4-8-29-16/h2-4,7-8,11H,5-6,9-10,28H2,1H3,(H2,27,31)(H,30,33,35)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251506
PNG
(US9452998, 55)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]c(cc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N8O/c25-24(26,27)19-11-15-14(3-1-4-16(15)32-19)17-12-31-21(29)20(33-17)23(36)34-22-18(5-2-8-30-22)35-9-6-13(28)7-10-35/h1-5,8,11-13,32H,6-7,9-10,28H2,(H2,29,31)(H,30,34,36)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251517
PNG
(US9452998, 66 | US9452998, 77)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H28F3N9O2/c26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36/h1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251544
PNG
(US9452998, 93)
Show SMILES Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1nc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H30F3N9O3/c27-26(28,29)16-3-4-19(38-10-12-41-13-11-38)35-20(16)17-14-33-22(30)21(34-17)24(40)36-23-18(2-1-7-32-23)37-8-5-25(31,15-39)6-9-37/h1-4,7,14,39H,5-6,8-13,15,31H2,(H2,30,33)(H,32,36,40)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251496
PNG
(US9452998, 45)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)C1=CCOCC1
Show InChI InChI=1S/C26H28F3N9O2/c1-25(31)6-9-38(10-7-25)18-3-2-8-32-23(18)37-24(39)20-21(30)33-14-17(35-20)19-16(26(27,28)29)13-34-22(36-19)15-4-11-40-12-5-15/h2-4,8,13-14H,5-7,9-12,31H2,1H3,(H2,30,33)(H,32,37,39)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251455
PNG
(US9452998, 4)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C29H33N9O2/c1-29(31)8-11-37(12-9-29)22-7-4-10-32-27(22)36-28(39)25-26(30)33-18-21(34-25)24-20-6-3-2-5-19(20)17-23(35-24)38-13-15-40-16-14-38/h2-7,10,17-18H,8-9,11-16,31H2,1H3,(H2,30,33)(H,32,36,39)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251524
PNG
(US9452998, 73)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(cc(c1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H29F3N8O2/c27-26(28,29)17-12-16(13-19(14-17)36-8-10-39-11-9-36)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-5-32-24)37-6-3-18(30)4-7-37/h1-2,5,12-15,18H,3-4,6-11,30H2,(H2,31,33)(H,32,35,38)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251523
PNG
(US9452998, 72 | US9452998, 78)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C28H31N9O2/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251515
PNG
(US9452998, 64)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(nc2ccc(F)cc12)N1CCOCC1
Show InChI InChI=1S/C27H29FN10O2/c28-16-3-4-19-18(14-16)22(35-27(34-19)38-10-12-40-13-11-38)20-15-32-24(30)23(33-20)26(39)36-25-21(2-1-7-31-25)37-8-5-17(29)6-9-37/h1-4,7,14-15,17H,5-6,8-13,29H2,(H2,30,32)(H,31,36,39)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251523
PNG
(US9452998, 72 | US9452998, 78)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C28H31N9O2/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251507
PNG
(US9452998, 56 | US9452998, 76)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H29F3N8O2/c27-26(28,29)19-4-3-17(36-10-12-39-13-11-36)14-18(19)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-7-32-24)37-8-5-16(30)6-9-37/h1-4,7,14-16H,5-6,8-13,30H2,(H2,31,33)(H,32,35,38)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251458
PNG
(US9452998, 7)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C24H27F3N10O2/c25-24(26,27)15-12-32-23(37-8-10-39-11-9-37)34-18(15)16-13-31-20(29)19(33-16)22(38)35-21-17(2-1-5-30-21)36-6-3-14(28)4-7-36/h1-2,5,12-14H,3-4,6-11,28H2,(H2,29,31)(H,30,35,38)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251491
PNG
(US9452998, 40 | US9452998, 51)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C25H30N8O2/c26-18-6-9-33(10-7-18)21-5-2-8-28-24(21)31-25(34)22-23(27)29-16-20(30-22)17-3-1-4-19(15-17)32-11-13-35-14-12-32/h1-5,8,15-16,18H,6-7,9-14,26H2,(H2,27,29)(H,28,31,34)
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US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251522
PNG
(US9452998, 71)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H24N8O/c24-14-7-11-31(12-8-14)19-5-2-9-27-22(19)30-23(32)20-21(25)28-13-18(29-20)15-3-1-4-17-16(15)6-10-26-17/h1-6,9-10,13-14,26H,7-8,11-12,24H2,(H2,25,28)(H,27,30,32)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251509
PNG
(US9452998, 58)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)N1CCC(F)(F)CC1
Show InChI InChI=1S/C25H29F3N10O/c1-24(30)4-9-37(10-5-24)17-3-2-8-31-21(17)36-22(39)19-20(29)32-14-16(34-19)18-15(26)13-33-23(35-18)38-11-6-25(27,28)7-12-38/h2-3,8,13-14H,4-7,9-12,30H2,1H3,(H2,29,32)(H,31,36,39)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251508
PNG
(US9452998, 57)
Show SMILES CN(C)c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N9O/c1-34(2)17-6-5-14(23(24,25)26)18(32-17)15-12-30-20(28)19(31-15)22(36)33-21-16(4-3-9-29-21)35-10-7-13(27)8-11-35/h3-6,9,12-13H,7-8,10-11,27H2,1-2H3,(H2,28,30)(H,29,33,36)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251516
PNG
(US9452998, 65)
Show SMILES Cc1cc2c(cccc2[nH]1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1
Show InChI InChI=1S/C24H26N8O/c1-14-12-17-16(4-2-5-18(17)29-14)19-13-28-22(26)21(30-19)24(33)31-23-20(6-3-9-27-23)32-10-7-15(25)8-11-32/h2-6,9,12-13,15,29H,7-8,10-11,25H2,1H3,(H2,26,28)(H,27,31,33)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251512
PNG
(US9452998, 61)
Show SMILES Cn1ccc2c(cccc12)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1
Show InChI InChI=1S/C24H26N8O/c1-31-11-9-17-16(4-2-5-19(17)31)18-14-28-22(26)21(29-18)24(33)30-23-20(6-3-10-27-23)32-12-7-15(25)8-13-32/h2-6,9-11,14-15H,7-8,12-13,25H2,1H3,(H2,26,28)(H,27,30,33)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251572
PNG
(US9452998, Table 4 Compound 2)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1F
Show InChI InChI=1S/C21H22FN7O/c22-15-4-2-1-3-14(15)16-12-26-20(24)19(27-16)21(30)28-17-11-25-8-5-18(17)29-9-6-13(23)7-10-29/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,28,30)
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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251513
PNG
(US9452998, 62)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H23N9O/c23-13-6-9-31(10-7-13)18-5-2-8-25-21(18)29-22(32)19-20(24)26-12-17(28-19)14-3-1-4-16-15(14)11-27-30-16/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,27,30)(H,25,29,32)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251497
PNG
(US9452998, 46)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C28H32N10O2/c1-28(30)8-11-37(12-9-28)21-7-4-10-31-25(21)36-26(39)23-24(29)32-17-20(33-23)22-18-5-2-3-6-19(18)34-27(35-22)38-13-15-40-16-14-38/h2-7,10,17H,8-9,11-16,30H2,1H3,(H2,29,32)(H,31,36,39)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251574
PNG
(US9452998, Table 4 Compound 4)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C21H23N7O/c22-15-7-10-28(11-8-15)18-6-9-24-12-17(18)27-21(29)19-20(23)25-13-16(26-19)14-4-2-1-3-5-14/h1-6,9,12-13,15H,7-8,10-11,22H2,(H2,23,25)(H,27,29)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251511
PNG
(US9452998, 60)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)N1CCOCC1
Show InChI InChI=1S/C24H29FN10O2/c1-24(27)4-7-34(8-5-24)17-3-2-6-28-21(17)33-22(36)19-20(26)29-14-16(31-19)18-15(25)13-30-23(32-18)35-9-11-37-12-10-35/h2-3,6,13-14H,4-5,7-12,27H2,1H3,(H2,26,29)(H,28,33,36)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251573
PNG
(US9452998, Table 4 Compound 3)
Show SMILES NC1CCN(CC1)c1ccccc1NC(=O)c1nc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C22H24N6O/c23-16-10-12-28(13-11-16)19-9-5-4-8-17(19)27-22(29)20-21(24)25-14-18(26-20)15-6-2-1-3-7-15/h1-9,14,16H,10-13,23H2,(H2,24,25)(H,27,29)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251524
PNG
(US9452998, 73)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(cc(c1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H29F3N8O2/c27-26(28,29)17-12-16(13-19(14-17)36-8-10-39-11-9-36)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-5-32-24)37-6-3-18(30)4-7-37/h1-2,5,12-15,18H,3-4,6-11,30H2,(H2,31,33)(H,32,35,38)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251540
PNG
(US9452998, 89)
Show SMILES CCOCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
Show InChI InChI=1S/C24H27F3N8O3/c1-2-37-14-23(29)7-11-35(12-8-23)16-5-3-10-31-21(16)34-22(36)19-20(28)32-13-15(33-19)18-17(6-4-9-30-18)38-24(25,26)27/h3-6,9-10,13H,2,7-8,11-12,14,29H2,1H3,(H2,28,32)(H,31,34,36)
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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251493
PNG
(US9452998, 42)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C27H31F3N8O2/c1-26(32)6-9-38(10-7-26)21-3-2-8-33-24(21)36-25(39)22-23(31)34-16-20(35-22)18-15-17(37-11-13-40-14-12-37)4-5-19(18)27(28,29)30/h2-5,8,15-16H,6-7,9-14,32H2,1H3,(H2,31,34)(H,33,36,39)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251575
PNG
(US9452998, Table 4 Compound 5)
Show SMILES COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)CC1
Show InChI InChI=1S/C22H25N7O2/c1-31-16-4-2-14(3-5-16)17-13-26-21(24)20(27-17)22(30)28-18-12-25-9-6-19(18)29-10-7-15(23)8-11-29/h2-6,9,12-13,15H,7-8,10-11,23H2,1H3,(H2,24,26)(H,28,30)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251501
PNG
(US9452998, 50)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(n1)N1CCOCC1
Show InChI InChI=1S/C24H29N9O2/c25-16-6-9-32(10-7-16)19-4-2-8-27-23(19)31-24(34)21-22(26)28-15-18(30-21)17-3-1-5-20(29-17)33-11-13-35-14-12-33/h1-5,8,15-16H,6-7,9-14,25H2,(H2,26,28)(H,27,31,34)
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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251504
PNG
(US9452998, 53)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCC1
Show InChI InChI=1S/C24H26F3N9O/c25-24(26,27)15-4-5-18(36-9-2-10-36)33-19(15)16-13-31-21(29)20(32-16)23(37)34-22-17(3-1-8-30-22)35-11-6-14(28)7-12-35/h1,3-5,8,13-14H,2,6-7,9-12,28H2,(H2,29,31)(H,30,34,37)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251523
PNG
(US9452998, 72 | US9452998, 78)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C28H31N9O2/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38)
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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM251574
PNG
(US9452998, Table 4 Compound 4)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C21H23N7O/c22-15-7-10-28(11-8-15)18-6-9-24-12-17(18)27-21(29)19-20(23)25-13-16(26-19)14-4-2-1-3-5-14/h1-6,9,12-13,15H,7-8,10-11,22H2,(H2,23,25)(H,27,29)
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US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM251575
PNG
(US9452998, Table 4 Compound 5)
Show SMILES COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)CC1
Show InChI InChI=1S/C22H25N7O2/c1-31-16-4-2-14(3-5-16)17-13-26-21(24)20(27-17)22(30)28-18-12-25-9-6-19(18)29-10-7-15(23)8-11-29/h2-6,9,12-13,15H,7-8,10-11,23H2,1H3,(H2,24,26)(H,28,30)
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US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM251576
PNG
(US9452998, Table 4 Compound 6)
Show SMILES Nc1ncc(nc1C(=O)Nc1cnccc1N1CCNCC1)-c1ccccc1F
Show InChI InChI=1S/C20H20FN7O/c21-14-4-2-1-3-13(14)15-12-25-19(22)18(26-15)20(29)27-16-11-24-6-5-17(16)28-9-7-23-8-10-28/h1-6,11-12,23H,7-10H2,(H2,22,25)(H,27,29)
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US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251491
PNG
(US9452998, 40 | US9452998, 51)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C25H30N8O2/c26-18-6-9-33(10-7-18)21-5-2-8-28-24(21)31-25(34)22-23(27)29-16-20(30-22)17-3-1-4-19(15-17)32-11-13-35-14-12-32/h1-5,8,15-16,18H,6-7,9-14,26H2,(H2,27,29)(H,28,31,34)
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US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251523
PNG
(US9452998, 72 | US9452998, 78)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C28H31N9O2/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38)
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n/an/a 0.200n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251457
PNG
(US9452998, 6)
Show SMILES Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1ncccc1OC(F)(F)F
Show InChI InChI=1S/C22H23F3N8O3/c23-22(24,25)36-15-4-2-7-28-16(15)13-11-30-18(26)17(31-13)20(35)32-19-14(3-1-8-29-19)33-9-5-21(27,12-34)6-10-33/h1-4,7-8,11,34H,5-6,9-10,12,27H2,(H2,26,30)(H,29,32,35)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251522
PNG
(US9452998, 71)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H24N8O/c24-14-7-11-31(12-8-14)19-5-2-9-27-22(19)30-23(32)20-21(25)28-13-18(29-20)15-3-1-4-17-16(15)6-10-26-17/h1-6,9-10,13-14,26H,7-8,11-12,24H2,(H2,25,28)(H,27,30,32)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251480
PNG
(US9452998, 29)
Show SMILES N[C@H]1[C@H]2CO[C@@H]1CN(C2)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H28F3N9O3/c27-26(28,29)15-3-4-19(37-6-8-40-9-7-37)35-21(15)16-10-33-23(31)22(34-16)25(39)36-24-17(2-1-5-32-24)38-11-14-13-41-18(12-38)20(14)30/h1-5,10,14,18,20H,6-9,11-13,30H2,(H2,31,33)(H,32,36,39)/t14-,18-,20+/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251521
PNG
(US9452998, 70)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(N)ncc1Cl
Show InChI InChI=1S/C20H23ClN10O/c1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32)
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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251573
PNG
(US9452998, Table 4 Compound 3)
Show SMILES NC1CCN(CC1)c1ccccc1NC(=O)c1nc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C22H24N6O/c23-16-10-12-28(13-11-16)19-9-5-4-8-17(19)27-22(29)20-21(24)25-14-18(26-20)15-6-2-1-3-7-15/h1-9,14,16H,10-13,23H2,(H2,24,25)(H,27,29)
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251453
PNG
(US9452998, 2)
Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
Show InChI InChI=1S/C21H21F3N8O2/c22-21(23,24)34-15-4-2-7-27-16(15)13-11-29-18(26)17(30-13)20(33)31-19-14(3-1-8-28-19)32-9-5-12(25)6-10-32/h1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33)
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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251505
PNG
(US9452998, 54)
Show SMILES N[C@@H]1CCN(C[C@@H]1F)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
Show InChI InChI=1S/C21H20F4N8O2/c22-11-10-33(8-5-12(11)26)14-3-1-7-29-19(14)32-20(34)17-18(27)30-9-13(31-17)16-15(4-2-6-28-16)35-21(23,24)25/h1-4,6-7,9,11-12H,5,8,10,26H2,(H2,27,30)(H,29,32,34)/t11-,12+/m0/s1
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NOVARTIS AG

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Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251543
PNG
(US9452998, 92)
Show SMILES Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1cc2ccccc2c(n1)N1CCOCC1
Show InChI InChI=1S/C29H33N9O3/c30-25-24(28(40)36-26-23(6-3-9-32-26)37-10-7-29(31,18-39)8-11-37)34-22(17-33-25)21-16-19-4-1-2-5-20(19)27(35-21)38-12-14-41-15-13-38/h1-6,9,16-17,39H,7-8,10-15,18,31H2,(H2,30,33)(H,32,36,40)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM251566
PNG
(US9452998, 115)
Show SMILES C[C@H](CO)Nc1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N9O2/c1-14(13-38)33-18-6-5-15(25(26,27)28)19(35-18)16-12-32-21(29)20(34-16)23(39)36-22-17(4-3-9-31-22)37-10-7-24(2,30)8-11-37/h3-6,9,12,14,38H,7-8,10-11,13,30H2,1-2H3,(H2,29,32)(H,33,35)(H,31,36,39)/t14-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM251519
PNG
(US9452998, 68)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)C(N)=O
Show InChI InChI=1S/C21H23FN10O2/c1-21(25)4-7-32(8-5-21)13-3-2-6-26-18(13)31-20(34)15-16(23)27-10-12(29-15)14-11(22)9-28-19(30-14)17(24)33/h2-3,6,9-10H,4-5,7-8,25H2,1H3,(H2,23,27)(H2,24,33)(H,26,31,34)
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NOVARTIS AG

US Patent


Assay Description
The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%