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Compile Data Set for Download or QSAR

Found 1629 hits with Last Name = 'rauniyar' and Initial = 'v'   
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
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410256
PNG
((rac)-N-(3-(1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,...)
Show SMILES CO[C@@H]1C[C@H]2COCCN2c2cc(ccc12)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)cnc1C |r|
Show InChI InChI=1S/C27H28F2N4O3/c1-16-22(12-19(14-31-16)32-26(34)18-6-7-30-25(11-18)27(2,28)29)17-4-5-21-23(10-17)33-8-9-36-15-20(33)13-24(21)35-3/h4-7,10-12,14,20,24H,8-9,13,15H2,1-3H3,(H,32,34)/t20-,24+/m0/s1
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n/an/a 0.00100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410384
PNG
(US10377770, Example 144)
Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-18(31-24(34)16-6-17(12-29-10-16)25(26,27)28)8-20(14)15-7-21-23(30-11-15)22(33)9-19-13-35-5-4-32(19)21/h2-3,6-8,10-12,19,22,33H,4-5,9,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410342
PNG
(N-(3-((4aR,6R)-6-Hydroxy-1,2,4,4a,5,6-hexahydro-[1...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2[C@H](O)C[C@@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18,21,33H,6-7,11,13H2,1H3,(H,31,34)/t18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410350
PNG
(US10377770, Example 110)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C(=O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H21F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18H,6-7,11,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410277
PNG
((rac)-N-(3-(6-hydroxy-6-methyl-1,2,4,4a,5,6-hexahy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1C[C@@]2(C)O |r|
Show InChI InChI=1S/C26H25F3N4O3/c1-15-3-4-18(32-24(34)16-5-6-30-22(10-16)26(27,28)29)11-20(15)17-9-21-23(31-13-17)25(2,35)12-19-14-36-8-7-33(19)21/h3-6,9-11,13,19,35H,7-8,12,14H2,1-2H3,(H,32,34)/t19?,25-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410352
PNG
(US10377770, Example 112)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2NC(=O)C3COCCN3c2c1
Show InChI InChI=1S/C24H20F3N5O3/c1-13-2-3-16(30-22(33)14-4-5-28-20(9-14)24(25,26)27)10-17(13)15-8-18-21(29-11-15)31-23(34)19-12-35-7-6-32(18)19/h2-5,8-11,19H,6-7,12H2,1H3,(H,30,33)(H,29,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410356
PNG
(US10377770, Example 116 | rac-trans-2-(1,1-Difluor...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2CC(CO)C3COCCN3c2c1
Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410387
PNG
(US10377770, Example 147)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)20-9-16(4-5-29-20)25(26,27)28)10-19(14)15-8-21-23(30-12-15)22(33)11-18-13-35-7-6-32(18)21/h2-5,8-10,12,18,22,33H,6-7,11,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410381
PNG
(US10377770, Example 141)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C27H29FN4O3/c1-16-4-5-19(31-26(34)17-6-7-29-24(11-17)27(2,3)28)12-21(16)18-10-22-25(30-14-18)23(33)13-20-15-35-9-8-32(20)22/h4-7,10-12,14,20,23,33H,8-9,13,15H2,1-3H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204382
PNG
(US9242996, 461)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](O)C1 |r|
Show InChI InChI=1S/C25H25F2IN4O4/c26-15-5-14(6-16(28)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)27)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20-,21-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410393
PNG
(US10377770, Example 153)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2CC3(COC3)C3COCCN3c2c1
Show InChI InChI=1S/C27H25F3N4O3/c1-16-2-3-19(33-25(35)17-4-5-31-23(9-17)27(28,29)30)10-20(16)18-8-22-21(32-12-18)11-26(14-37-15-26)24-13-36-7-6-34(22)24/h2-5,8-10,12,24H,6-7,11,13-15H2,1H3,(H,33,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204241
PNG
(US9242996, 315)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@H](F)C1)c1cc(F)cc(I)c1 |r|
Show InChI InChI=1S/C25H25F3IN5O2/c26-15-5-14(6-16(29)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)27)23-24(31)32-11-21(33-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19-,20-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410357
PNG
(2-(1,1-Difluoroethyl)-N-(3-((4aR,5R)-5-(hydroxymet...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C[C@@H](CO)[C@@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)/t19-,24-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410362
PNG
(US10377770, Example 122 | rac-trans-N-(3-(5-(Hydro...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@@H](CO)C3COCCN3c2c1 |r|
Show InChI InChI=1S/C26H25F3N4O3/c1-15-2-3-19(32-25(35)16-4-5-30-24(10-16)26(27,28)29)11-20(15)17-9-22-21(31-12-17)8-18(13-34)23-14-36-7-6-33(22)23/h2-5,9-12,18,23,34H,6-8,13-14H2,1H3,(H,32,35)/t18-,23?/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410351
PNG
(US10377770, Example 111)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1CC2(F)F
Show InChI InChI=1S/C25H21F5N4O2/c1-14-2-3-17(33-23(35)15-4-5-31-21(9-15)25(28,29)30)10-19(14)16-8-20-22(32-12-16)24(26,27)11-18-13-36-7-6-34(18)20/h2-5,8-10,12,18H,6-7,11,13H2,1H3,(H,33,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410358
PNG
(2-(1,1-Difluoroethyl)-N-(3-((4aR,5R)-5-(hydroxymet...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C[C@H](CO)[C@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)/t19-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410363
PNG
(US10377770, Example 123 | rac-trans-N-(3-(5-(Hydro...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@H](CO)C3COCCN3c2c1 |r|
Show InChI InChI=1S/C26H25F3N4O3/c1-15-2-3-19(32-25(35)16-4-5-30-24(10-16)26(27,28)29)11-20(15)17-9-22-21(31-12-17)8-18(13-34)23-14-36-7-6-33(22)23/h2-5,9-12,18,23,34H,6-8,13-14H2,1H3,(H,32,35)/t18-,23?/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410231
PNG
((trans)-2-(1,1-difluoroethyl)-N-(3-(6-hydroxy-1,2,...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1ccc2[C@@H](O)C[C@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C27H27F2N3O3/c1-16-3-5-19(31-26(34)18-7-8-30-25(12-18)27(2,28)29)13-22(16)17-4-6-21-23(11-17)32-9-10-35-15-20(32)14-24(21)33/h3-8,11-13,20,24,33H,9-10,14-15H2,1-2H3,(H,31,34)/t20-,24-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204384
PNG
(US9242996, 463)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)[C@@H](O)C1 |r|
Show InChI InChI=1S/C25H25F2IN4O4/c26-15-5-14(6-16(28)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)27)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20+,21-,22-/m0/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410293
PNG
(N-(3-(5,5-bis(hydroxymethyl)-1,2,4,4a,5,6-hexahydr...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1ccc2CC(CO)(CO)[C@@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C29H31F2N3O4/c1-18-3-6-22(33-27(37)20-7-8-32-25(12-20)28(2,30)31)13-23(18)19-4-5-21-14-29(16-35,17-36)26-15-38-10-9-34(26)24(21)11-19/h3-8,11-13,26,35-36H,9-10,14-17H2,1-2H3,(H,33,37)/t26-/m0/s1
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n/an/a 0.00600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410349
PNG
(US10377770, Example 109)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2[C@@H](O)C[C@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C26H26F2N4O3/c1-15-3-4-18(31-25(34)16-5-6-29-23(10-16)26(2,27)28)11-20(15)17-9-21-24(30-13-17)22(33)12-19-14-35-8-7-32(19)21/h3-6,9-11,13,19,22,33H,7-8,12,14H2,1-2H3,(H,31,34)/t19-,22-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410306
PNG
(2-(1,1-difluoroethyl)-N-(3-(5-(hydroxymethyl)-1,2,...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C[C@H](CO)[C@@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C27H26F3N3O3/c1-16-2-5-21(32-26(35)19-6-7-31-25(12-19)27(28,29)30)13-22(16)17-3-4-18-10-20(14-34)24-15-36-9-8-33(24)23(18)11-17/h2-7,11-13,20,24,34H,8-10,14-15H2,1H3,(H,32,35)/t20-,24+/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410207
PNG
((trans)-N-(3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2[C@@H](O)C[C@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C26H24F3N3O3/c1-15-2-4-18(31-25(34)17-6-7-30-24(11-17)26(27,28)29)12-21(15)16-3-5-20-22(10-16)32-8-9-35-14-19(32)13-23(20)33/h2-7,10-12,19,23,33H,8-9,13-14H2,1H3,(H,31,34)/t19-,23-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204469
PNG
(US9242996, 179)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(I)c1
Show InChI InChI=1S/C24H24F2IN5O2/c25-16-7-15(8-17(27)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)26)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204281
PNG
(US9242996, 360)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(I)c1 |r,wU:21.22,wD:3.3,24.26,(5.33,6.16,;4,6.93,;2.67,6.16,;2.67,4.62,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-8,-4.62,;-8,-3.08,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,)|
Show InChI InChI=1S/C26H28F2IN5O2/c1-31-12-22(16-8-17(27)11-18(29)9-16)34-26(36)20-7-4-15(10-21(20)28)24-25(30)32-13-23(33-24)14-2-5-19(35)6-3-14/h4,7-11,13-14,19,22,31,35H,2-3,5-6,12H2,1H3,(H2,30,32)(H,34,36)/t14-,19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204470
PNG
(US9242996, 180)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Br)c1
Show InChI InChI=1S/C24H24BrF2N5O2/c25-16-7-15(8-17(26)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)27)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410399
PNG
(US10377770, Example 159)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cnc2CC(CO)(CO)C3COCCN3c2c1
Show InChI InChI=1S/C27H27F3N4O4/c1-16-2-3-19(33-25(37)21-9-18(4-5-31-21)27(28,29)30)10-20(16)17-8-23-22(32-12-17)11-26(14-35,15-36)24-13-38-7-6-34(23)24/h2-5,8-10,12,24,35-36H,6-7,11,13-15H2,1H3,(H,33,37)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410223
PNG
(US10377770, Example 12)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C29H30N4O3/c1-18-25(19-7-8-24-26(12-19)33-9-10-36-16-23(33)14-27(24)34)13-22(15-31-18)32-28(35)20-5-4-6-21(11-20)29(2,3)17-30/h4-8,11-13,15,23,27,34H,9-10,14,16H2,1-3H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410353
PNG
(US10377770, Example 113)
Show SMILES CCN1C(=O)C2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H24F3N5O3/c1-3-33-23-20(34-8-9-37-14-21(34)25(33)36)10-17(13-31-23)19-12-18(5-4-15(19)2)32-24(35)16-6-7-30-22(11-16)26(27,28)29/h4-7,10-13,21H,3,8-9,14H2,1-2H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410274
PNG
((rac)-(cis)-N-(3-(6-hydroxy-1,2,4,4a,5,6-hexahydro...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18,21,33H,6-7,11,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410268
PNG
((trans)-N-(3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,...)
Show SMILES COC1CC2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
Show InChI InChI=1S/C27H28F2N4O3/c1-16-4-5-19(32-26(34)17-6-7-30-24(11-17)27(2,28)29)12-21(16)18-10-22-25(31-14-18)23(35-3)13-20-15-36-9-8-33(20)22/h4-7,10-12,14,20,23H,8-9,13,15H2,1-3H3,(H,32,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410281
PNG
(US10377770, Example 43 | US10377770, Example 44)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1CC2(C)O
Show InChI InChI=1S/C26H25F3N4O3/c1-15-21(10-19(13-30-15)32-24(34)16-4-3-5-18(8-16)26(27,28)29)17-9-22-23(31-12-17)25(2,35)11-20-14-36-7-6-33(20)22/h3-5,8-10,12-13,20,35H,6-7,11,14H2,1-2H3,(H,32,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204316
PNG
(US9242996, 395)
Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1 |r|
Show InChI InChI=1S/C25H26F2N4O3S/c1-35-18-9-16(8-17(26)11-18)22(13-32)31-25(33)19-3-2-15(10-20(19)27)23-24(28)29-12-21(30-23)14-4-6-34-7-5-14/h2-3,8-12,14,22,32H,4-7,13H2,1H3,(H2,28,29)(H,31,33)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204294
PNG
(US9242996, 373)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(I)c1 |r,wU:23.25,wD:20.21,2.2,(4,6.93,;2.67,6.16,;2.67,4.62,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-5.33,-4.62,;-5.33,-3.08,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,)|
Show InChI InChI=1S/C25H26F2IN5O2/c26-16-7-15(8-17(28)10-16)21(11-29)33-25(35)19-6-3-14(9-20(19)27)23-24(30)31-12-22(32-23)13-1-4-18(34)5-2-13/h3,6-10,12-13,18,21,34H,1-2,4-5,11,29H2,(H2,30,31)(H,33,35)/t13-,18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204168
PNG
(US9242996, 242)
Show SMILES Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 |r|
Show InChI InChI=1S/C26H24F3N5O2/c1-14-22(12-32-34(14)2)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)33-24(13-35)17-5-15(10-27)6-19(28)7-17/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,33,36)/t24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410269
PNG
(US10377770, Example 34)
Show SMILES COC1CC2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H25F3N4O3/c1-15-3-4-18(32-25(34)16-5-6-30-23(10-16)26(27,28)29)11-20(15)17-9-21-24(31-13-17)22(35-2)12-19-14-36-8-7-33(19)21/h3-6,9-11,13,19,22H,7-8,12,14H2,1-2H3,(H,32,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204405
PNG
(US9242996, 478a)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CCC(=O)NC1 |r|
Show InChI InChI=1S/C24H22F2IN5O3/c25-15-5-14(6-16(27)8-15)20(11-33)32-24(35)17-3-1-12(7-18(17)26)22-23(28)30-10-19(31-22)13-2-4-21(34)29-9-13/h1,3,5-8,10,13,20,33H,2,4,9,11H2,(H2,28,30)(H,29,34)(H,32,35)/t13-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410383
PNG
(US10377770, Example 143)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc2[C@@H](O)C[C@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C27H29FN4O3/c1-16-4-5-19(31-26(34)17-6-7-29-24(11-17)27(2,3)28)12-21(16)18-10-22-25(30-14-18)23(33)13-20-15-35-9-8-32(20)22/h4-7,10-12,14,20,23,33H,8-9,13,15H2,1-3H3,(H,31,34)/t20-,23-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410361
PNG
(N-(5-((4aR,5R)-5-(Hydroxymethyl)-1,2,4,4a,5,6-hexa...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc2C[C@H](CO)[C@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C26H25F3N4O3/c1-15-21(10-20(12-30-15)32-25(35)16-3-2-4-19(7-16)26(27,28)29)17-9-23-22(31-11-17)8-18(13-34)24-14-36-6-5-33(23)24/h2-4,7,9-12,18,24,34H,5-6,8,13-14H2,1H3,(H,32,35)/t18-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410300
PNG
((rac)-N-(3-(5-(hydroxymethyl)-1,2,4,4a,5,6-hexahyd...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2CC(CO)C3COCCN3c2c1
Show InChI InChI=1S/C27H26F3N3O3/c1-16-2-5-21(32-26(35)19-6-7-31-25(12-19)27(28,29)30)13-22(16)17-3-4-18-10-20(14-34)24-15-36-9-8-33(24)23(18)11-17/h2-7,11-13,20,24,34H,8-10,14-15H2,1H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410364
PNG
(US10377770, Example 124)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2NC(=O)CC3COCCN3c2c1
Show InChI InChI=1S/C26H25F2N5O3/c1-15-3-4-18(31-25(35)16-5-6-29-22(10-16)26(2,27)28)11-20(15)17-9-21-24(30-13-17)32-23(34)12-19-14-36-8-7-33(19)21/h3-6,9-11,13,19H,7-8,12,14H2,1-2H3,(H,31,35)(H,30,32,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410380
PNG
(US10377770, Example 140)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C(O)C(F)C3COCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-14-3-4-17(32-25(35)15-5-6-30-21(10-15)26(2,28)29)11-18(14)16-9-19-23(31-12-16)24(34)22(27)20-13-36-8-7-33(19)20/h3-6,9-12,20,22,24,34H,7-8,13H2,1-2H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204301
PNG
(US9242996, 380)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C25H27BrFN5O2/c1-29-13-21(16-3-2-4-18(26)11-16)32-25(33)19-6-5-17(12-20(19)27)23-24(28)30-14-22(31-23)15-7-9-34-10-8-15/h2-6,11-12,14-15,21,29H,7-10,13H2,1H3,(H2,28,30)(H,32,33)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204270
PNG
(US9242996, 344)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,14.14,(-6.67,3.85,;-6.67,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,4.62,;,6.16,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,;-2.67,4.62,;-2.67,6.16,;-4,3.85,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-5.33,-4.62,;-5.33,-3.08,)|
Show InChI InChI=1S/C25H25F2IN4O3/c26-16-7-15(8-17(28)10-16)22(12-33)32-25(35)19-6-3-14(9-20(19)27)23-24(29)30-11-21(31-23)13-1-4-18(34)5-2-13/h3,6-11,13,18,22,33-34H,1-2,4-5,12H2,(H2,29,30)(H,32,35)/t13-,18-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410359
PNG
(US10377770, Example 119 | rac-trans-N-(5-(5-(Hydro...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc2CC(CO)C3COCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-15-21(10-20(12-30-15)32-25(35)16-3-2-4-19(7-16)26(27,28)29)17-9-23-22(31-11-17)8-18(13-34)24-14-36-6-5-33(23)24/h2-4,7,9-12,18,24,34H,5-6,8,13-14H2,1H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410398
PNG
(US10377770, Example 158)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2CC(CO)(CO)C3COCCN3c2c1
Show InChI InChI=1S/C28H30F2N4O4/c1-17-3-4-20(33-26(37)18-5-6-31-24(10-18)27(2,29)30)11-21(17)19-9-23-22(32-13-19)12-28(15-35,16-36)25-14-38-8-7-34(23)25/h3-6,9-11,13,25,35-36H,7-8,12,14-16H2,1-2H3,(H,33,37)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410218
PNG
(US10377770, Example 11 | US10377770, Example 9)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C26H24F3N3O3/c1-15-22(16-5-6-21-23(10-16)32-7-8-35-14-20(32)12-24(21)33)11-19(13-30-15)31-25(34)17-3-2-4-18(9-17)26(27,28)29/h2-6,9-11,13,20,24,33H,7-8,12,14H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204255
PNG
(US9242996, 329)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H25F3N4O3/c26-11-14-7-17(9-18(27)8-14)22(13-33)32-25(34)19-2-1-16(10-20(19)28)23-24(29)30-12-21(31-23)15-3-5-35-6-4-15/h1-2,7-10,12,15,22,33H,3-6,11,13H2,(H2,29,30)(H,32,34)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204308
PNG
(US9242996, 387)
Show SMILES CSc1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1 |r|
Show InChI InChI=1S/C25H27FN4O3S/c1-34-18-4-2-3-16(11-18)22(14-31)30-25(32)19-6-5-17(12-20(19)26)23-24(27)28-13-21(29-23)15-7-9-33-10-8-15/h2-6,11-13,15,22,31H,7-10,14H2,1H3,(H2,27,28)(H,30,32)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))
BDBM410299
PNG
(2-(1,1-difluoroethyl)-N-(4-methyl-3-(2,4,4a,6-tetr...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1ccc2CC3(COC3)[C@@H]3COCCN3c2c1 |r|
Show InChI InChI=1S/C29H29F2N3O3/c1-18-3-6-22(33-27(35)20-7-8-32-25(12-20)28(2,30)31)13-23(18)19-4-5-21-14-29(16-37-17-29)26-15-36-10-9-34(26)24(21)11-19/h3-8,11-13,26H,9-10,14-17H2,1-2H3,(H,33,35)/t26-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...


US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
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