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Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with Target = 'BRAF-MEK-ERK'   
Target
(Institution)
LigandTarget
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
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200424
PNG
(US9227969, 51)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(n2)C(F)(F)F)cc1Cl
Show InChI InChI=1/C29H22ClF5N6O3/c1-14-38-23-11-37-22-10-20(31)17(9-18(22)27(23)41(14)24-5-7-40(12-21(24)32)26(43)13-42)16-3-2-15(8-19(16)30)44-28-36-6-4-25(39-28)29(33,34)35/h2-4,6,8-11,21,24,42H,5,7,12-13H2,1H3/t21-,24-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200427
PNG
(US9227969, 54)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(n2)C2CC2)cc1Cl
Show InChI InChI=1S/C31H28ClFN6O3/c1-17-36-28-15-35-27-14-25(33)22(13-23(27)30(28)39(17)19-7-10-38(11-8-19)29(41)16-40)21-5-4-20(12-24(21)32)42-31-34-9-6-26(37-31)18-2-3-18/h4-6,9,12-15,18-19,40H,2-3,7-8,10-11,16H2,1H3
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200420
PNG
(US9227969, 47)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(F)n2)cc1Cl
Show InChI InChI=1S/C29H24ClF2N5O3/c1-16-34-25-14-33-24-13-23(31)20(19-6-5-18(11-22(19)30)40-27-4-2-3-26(32)35-27)12-21(24)29(25)37(16)17-7-9-36(10-8-17)28(39)15-38/h2-6,11-14,17,38H,7-10,15H2,1H3
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200417
PNG
(US9227969, 44)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(CO)n2)cc1Cl
Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-27-14-33-26-13-25(32)22(12-23(26)30(27)37(17)19-7-9-36(10-8-19)29(40)16-39)21-6-5-20(11-24(21)31)41-28-4-2-3-18(15-38)35-28/h2-6,11-14,19,38-39H,7-10,15-16H2,1H3
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200436
PNG
(US9227969, 65)
Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1
Show InChI InChI=1S/C28H25ClFN7O2/c1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200461
PNG
(US9227969, 90)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C
Show InChI InChI=1/C29H26F2N6O3/c1-16-10-18(40-29-32-7-3-8-33-29)4-5-19(16)20-11-21-24(12-22(20)30)34-13-25-28(21)37(17(2)35-25)26-6-9-36(14-23(26)31)27(39)15-38/h3-5,7-8,10-13,23,26,38H,6,9,14-15H2,1-2H3/t23-,26-/s2
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200460
PNG
(US9227969, 89)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl
Show InChI InChI=1/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/s2
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200465
PNG
(US9227969, 94)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C27H22ClF2N7O2/c1-14-35-23-12-34-22-11-20(29)17(16-4-3-15(9-19(16)28)39-27-32-6-2-7-33-27)10-18(22)25(23)37(14)24-5-8-36(26(31)38)13-21(24)30/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3,(H2,31,38)/t21-,24-/s2
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200409
PNG
(US9227969, 37)
Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O
Show InChI InChI=1S/C29H28FN7O3/c1-17-6-9-32-28(35-17)40-18-4-5-19(25(12-18)39-3)20-13-21-23(14-22(20)30)33-15-24-26(21)37(16-34-24)29(2)7-10-36(11-8-29)27(31)38/h4-6,9,12-16H,7-8,10-11H2,1-3H3,(H2,31,38)
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200403
PNG
(US9227969, 31)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1S/C28H25ClFN7O2/c1-15-5-8-32-28(34-15)39-18-3-4-19(22(29)11-18)20-12-21-24(13-23(20)30)33-14-25-26(21)37(16(2)35-25)17-6-9-36(10-7-17)27(31)38/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,31,38)
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200430
PNG
(US9227969, 58)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)C[C@@H]1F)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1/C29H24ClF2N7O/c1-16-5-8-34-29(36-16)40-18-3-4-19(22(30)11-18)20-12-21-25(13-23(20)31)35-14-26-28(21)39(17(2)37-26)27-6-9-38(10-7-33)15-24(27)32/h3-5,8,11-14,24,27H,6,9-10,15H2,1-2H3/t24-,27-/s2
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200444
PNG
(US9227969, 73)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cccn(C)c2=O)cc1Cl
Show InChI InChI=1S/C29H26ClFN6O3/c1-16-34-25-15-33-24-14-23(31)20(13-21(24)27(25)37(16)17-7-10-36(11-8-17)29(32)39)19-6-5-18(12-22(19)30)40-26-4-3-9-35(2)28(26)38/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,32,39)
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200400
PNG
(US9227969, 28)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1S/C29H26ClFN6O3/c1-16-5-8-32-29(34-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)33-14-26-28(22)37(17(2)35-26)18-6-9-36(10-7-18)27(39)15-38/h3-5,8,11-14,18,38H,6-7,9-10,15H2,1-2H3
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200433
PNG
(US9227969, 62)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)C[C@@H]4F)c(C)nc3cnc2cc1F
Show InChI InChI=1/C29H25F2N7O2/c1-17-36-25-15-35-24-14-22(30)20(19-5-4-18(12-27(19)39-2)40-29-33-8-3-9-34-29)13-21(24)28(25)38(17)26-6-10-37(11-7-32)16-23(26)31/h3-5,8-9,12-15,23,26H,6,10-11,16H2,1-2H3/t23-,26-/s2
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200446
PNG
(US9227969, 75)
Show SMILES Cn1cccc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)c1=O
Show InChI InChI=1S/C29H26ClFN6O3/c1-29(7-10-36(11-8-29)28(32)39)37-16-34-24-15-33-23-14-22(31)19(13-20(23)26(24)37)18-6-5-17(12-21(18)30)40-25-4-3-9-35(2)27(25)38/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H2,32,39)
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200398
PNG
(US9227969, 26)
Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1
Show InChI InChI=1S/C29H26ClFN6O3/c1-17-5-8-32-28(35-17)40-18-3-4-19(22(30)11-18)20-12-21-24(13-23(20)31)33-14-25-27(21)37(16-34-25)29(2)6-9-36(10-7-29)26(39)15-38/h3-5,8,11-14,16,38H,6-7,9-10,15H2,1-2H3
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200441
PNG
(US9227969, 70)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1F
Show InChI InChI=1S/C28H25F2N7O2/c1-15-5-8-32-28(34-15)39-18-3-4-19(22(29)11-18)20-12-21-24(13-23(20)30)33-14-25-26(21)37(16(2)35-25)17-6-9-36(10-7-17)27(31)38/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,31,38)
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200453
PNG
(US9227969, 82)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccn(C)c2=O)cc1Cl
Show InChI InChI=1S/C28H25ClFN7O3/c1-15-34-24-14-33-23-13-22(30)19(12-20(23)25(24)37(15)16-5-8-36(9-6-16)28(31)39)18-4-3-17(11-21(18)29)40-26-27(38)35(2)10-7-32-26/h3-4,7,10-14,16H,5-6,8-9H2,1-2H3,(H2,31,39)
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200410
PNG
(US9227969, 38)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O
Show InChI InChI=1S/C28H26FN7O3/c1-28(6-10-35(11-7-28)26(30)37)36-16-34-23-15-33-22-14-21(29)19(13-20(22)25(23)36)18-5-4-17(12-24(18)38-2)39-27-31-8-3-9-32-27/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H2,30,37)
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200439
PNG
(US9227969, 68)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1/C29H25ClF2N6O3/c1-15-5-7-33-29(35-15)41-17-3-4-18(21(30)9-17)19-10-20-24(11-22(19)31)34-12-25-28(20)38(16(2)36-25)26-6-8-37(13-23(26)32)27(40)14-39/h3-5,7,9-12,23,26,39H,6,8,13-14H2,1-2H3/t23-,26-/s2
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Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200372
PNG
(US9227969, 1A)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/s2
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n/an/a 5n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200435
PNG
(US9227969, 64)
Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C27H23ClFN7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200459
PNG
(US9227969, 88)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(C[C@@H]4F)C(=O)CO)c(C)nc3cnc2cc1F
Show InChI InChI=1/C29H26F2N6O4/c1-16-35-24-13-34-23-12-21(30)19(18-5-4-17(10-26(18)40-2)41-29-32-7-3-8-33-29)11-20(23)28(24)37(16)25-6-9-36(14-22(25)31)27(39)15-38/h3-5,7-8,10-13,22,25,38H,6,9,14-15H2,1-2H3/t22-,25-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200426
PNG
(US9227969, 53 | US9227969, 87)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl
Show InChI InChI=1/C29H24ClF3N6O3/c1-14-22(32)10-35-29(36-14)42-16-3-4-17(20(30)7-16)18-8-19-24(9-21(18)31)34-11-25-28(19)39(15(2)37-25)26-5-6-38(12-23(26)33)27(41)13-40/h3-4,7-11,23,26,40H,5-6,12-13H2,1-2H3/t23-,26-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200426
PNG
(US9227969, 53 | US9227969, 87)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl
Show InChI InChI=1/C29H24ClF3N6O3/c1-14-22(32)10-35-29(36-14)42-16-3-4-17(20(30)7-16)18-8-19-24(9-21(18)31)34-11-25-28(19)39(15(2)37-25)26-5-6-38(12-23(26)33)27(41)13-40/h3-4,7-11,23,26,40H,5-6,12-13H2,1-2H3/t23-,26-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200452
PNG
(US9227969, 81)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2cccn(C)c2=O)cc1Cl
Show InChI InChI=1/C31H29ClFN5O4/c1-17(39)30(40)37-11-8-19(9-12-37)38-18(2)35-27-16-34-26-15-25(33)22(14-23(26)29(27)38)21-7-6-20(13-24(21)32)42-28-5-4-10-36(3)31(28)41/h4-7,10,13-17,19,39H,8-9,11-12H2,1-3H3/t17-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200386
PNG
(US9227969, 14)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C28H24ClFN6O3/c1-16-34-25-14-33-24-13-23(30)20(19-4-3-18(11-22(19)29)39-28-31-7-2-8-32-28)12-21(24)27(25)36(16)17-5-9-35(10-6-17)26(38)15-37/h2-4,7-8,11-14,17,37H,5-6,9-10,15H2,1H3
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200466
PNG
(US9227969, 95)
Show SMILES C[C@H](O)C(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C29H25ClF2N6O3/c1-15(39)28(40)37-9-6-26(23(32)14-37)38-16(2)36-25-13-35-24-12-22(31)19(11-20(24)27(25)38)18-5-4-17(10-21(18)30)41-29-33-7-3-8-34-29/h3-5,7-8,10-13,15,23,26,39H,6,9,14H2,1-2H3/t15-,23-,26-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200434
PNG
(US9227969, 63)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccn(C)c2=O)cc1Cl
Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-26-15-33-25-14-24(32)21(13-22(25)29(26)37(17)18-7-10-36(11-8-18)28(39)16-38)20-6-5-19(12-23(20)31)41-27-4-3-9-35(2)30(27)40/h3-6,9,12-15,18,38H,7-8,10-11,16H2,1-2H3
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200470
PNG
(US9227969, 99)
Show SMILES COc1ncnc(Oc2ccc(c(Cl)c2)-c2cc3c4n([C@H]5CCN(C[C@@H]5F)C(=O)CO)c(C)nc4cnc3cc2F)n1
Show InChI InChI=1/C28H24ClF2N7O4/c1-14-35-23-10-32-22-9-20(30)17(16-4-3-15(7-19(16)29)42-28-34-13-33-27(36-28)41-2)8-18(22)26(23)38(14)24-5-6-37(11-21(24)31)25(40)12-39/h3-4,7-10,13,21,24,39H,5-6,11-12H2,1-2H3/t21-,24-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200425
PNG
(US9227969, 52)
Show SMILES COCC(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C29H25ClF2N6O3/c1-16-36-25-13-35-24-12-22(31)19(18-5-4-17(10-21(18)30)41-29-33-7-3-8-34-29)11-20(24)28(25)38(16)26-6-9-37(14-23(26)32)27(39)15-40-2/h3-5,7-8,10-13,23,26H,6,9,14-15H2,1-2H3/t23-,26-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200450
PNG
(US9227969, 79)
Show SMILES Cc1ccnc(Oc2ccc(c(F)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1
Show InChI InChI=1S/C28H25F2N7O2/c1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200445
PNG
(US9227969, 74)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl
Show InChI InChI=1S/C28H25ClFN7O3/c1-15-34-24-13-32-23-11-22(30)19(10-20(23)27(24)37(15)16-5-7-36(8-6-16)28(31)39)18-4-3-17(9-21(18)29)40-25-12-26(38)35(2)14-33-25/h3-4,9-14,16H,5-8H2,1-2H3,(H2,31,39)
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200437
PNG
(US9227969, 66)
Show SMILES COc1cc(C)nc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1
Show InChI InChI=1S/C30H28ClFN6O4/c1-17-10-26(41-3)36-29(35-17)42-18-4-5-19(22(31)11-18)20-12-21-24(13-23(20)32)33-14-25-28(21)38(16-34-25)30(2)6-8-37(9-7-30)27(40)15-39/h4-5,10-14,16,39H,6-9,15H2,1-3H3
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200419
PNG
(US9227969, 46)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(F)n2)cc1Cl
Show InChI InChI=1S/C28H23ClF2N6O3/c1-15-34-24-13-33-23-12-22(30)19(18-3-2-17(10-21(18)29)40-28-32-7-4-25(31)35-28)11-20(23)27(24)37(15)16-5-8-36(9-6-16)26(39)14-38/h2-4,7,10-13,16,38H,5-6,8-9,14H2,1H3
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200468
PNG
(US9227969, 97)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CF)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C28H22ClF3N6O2/c1-15-36-24-13-35-23-11-21(31)18(17-4-3-16(9-20(17)29)40-28-33-6-2-7-34-28)10-19(23)27(24)38(15)25-5-8-37(14-22(25)32)26(39)12-30/h2-4,6-7,9-11,13,22,25H,5,8,12,14H2,1H3/t22-,25-/s2
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200457
PNG
(US9227969, 86)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)C1CCO1)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C30H25ClF2N6O3/c1-16-37-25-14-36-24-13-22(32)19(18-4-3-17(11-21(18)31)42-30-34-7-2-8-35-30)12-20(24)28(25)39(16)26-5-9-38(15-23(26)33)29(40)27-6-10-41-27/h2-4,7-8,11-14,23,26-27H,5-6,9-10,15H2,1H3/t23-,26-,27?/s2
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US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200456
PNG
(US9227969, 85)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C28H22ClF2N7O/c1-16-36-25-14-35-24-13-22(30)19(18-4-3-17(11-21(18)29)39-28-33-7-2-8-34-28)12-20(24)27(25)38(16)26-5-9-37(10-6-32)15-23(26)31/h2-4,7-8,11-14,23,26H,5,9-10,15H2,1H3/t23?,26-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200421
PNG
(US9227969, 48)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl
Show InChI InChI=1S/C29H25ClF2N6O3/c1-15-24(32)12-34-29(35-15)41-18-3-4-19(22(30)9-18)20-10-21-25(11-23(20)31)33-13-26-28(21)38(16(2)36-26)17-5-7-37(8-6-17)27(40)14-39/h3-4,9-13,17,39H,5-8,14H2,1-2H3
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200402
PNG
(US9227969, 30)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C27H23ClFN7O2/c1-15-34-24-14-33-23-13-22(29)19(18-4-3-17(11-21(18)28)38-27-31-7-2-8-32-27)12-20(23)25(24)36(15)16-5-9-35(10-6-16)26(30)37/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H2,30,37)
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200423
PNG
(US9227969, 50)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)S(C)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C27H23ClF2N6O3S/c1-15-34-24-13-33-23-12-21(29)18(17-5-4-16(10-20(17)28)39-27-31-7-3-8-32-27)11-19(23)26(24)36(15)25-6-9-35(14-22(25)30)40(2,37)38/h3-5,7-8,10-13,22,25H,6,9,14H2,1-2H3/t22-,25-/s2
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n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200451
PNG
(US9227969, 80)
Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1F
Show InChI InChI=1S/C27H23F2N7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)
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n/an/a 13n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200390
PNG
(US9227969, 18)
Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CCO)CC1
Show InChI InChI=1S/C30H31FN6O3/c1-19-6-9-32-29(35-19)40-20-4-5-21(27(14-20)39-3)22-15-23-25(16-24(22)31)33-17-26-28(23)37(18-34-26)30(2)7-10-36(11-8-30)12-13-38/h4-6,9,14-18,38H,7-8,10-13H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200380
PNG
(US9227969, 8)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(=O)(=O)C1CC1)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C29H26ClFN6O3S/c1-17-35-27-16-34-26-15-25(31)22(21-6-3-19(13-24(21)30)40-29-32-9-2-10-33-29)14-23(26)28(27)37(17)18-7-11-36(12-8-18)41(38,39)20-4-5-20/h2-3,6,9-10,13-16,18,20H,4-5,7-8,11-12H2,1H3
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n/an/a 15n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200387
PNG
(US9227969, 15)
Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CCO)CC2)n1
Show InChI InChI=1S/C29H28ClFN6O2/c1-18-5-8-32-28(35-18)39-19-3-4-20(23(30)13-19)21-14-22-25(15-24(21)31)33-16-26-27(22)37(17-34-26)29(2)6-9-36(10-7-29)11-12-38/h3-5,8,13-17,38H,6-7,9-12H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200462
PNG
(US9227969, 91)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)COS(O)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1/C28H23ClF2N6O6S/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)43-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(38)14-42-44(39,40)41/h2-4,6-7,9-12,22,25H,5,8,13-14H2,1H3,(H,39,40,41)/t22-,25-/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200431
PNG
(US9227969, 59)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2cc(C)nc(n2)C#N)cc1Cl
Show InChI InChI=1S/C30H24ClFN8O/c1-17-11-29(38-28(15-34)36-17)41-20-3-4-21(24(31)12-20)22-13-23-26(14-25(22)32)35-16-27-30(23)40(18(2)37-27)19-5-8-39(9-6-19)10-7-33/h3-4,11-14,16,19H,5-6,8-10H2,1-2H3
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200407
PNG
(US9227969, 35)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1/C30H28ClFN6O3/c1-16-6-9-33-30(35-16)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-28(23)38(18(3)36-27)19-7-10-37(11-8-19)29(40)17(2)39/h4-6,9,12-15,17,19,39H,7-8,10-11H2,1-3H3/t17-/s2
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n/an/a 19n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200401
PNG
(US9227969, 29)
Show SMILES CC(O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1/C30H28ClFN6O3/c1-16-6-9-33-30(35-16)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-28(23)38(18(3)36-27)19-7-10-37(11-8-19)29(40)17(2)39/h4-6,9,12-15,17,19,39H,7-8,10-11H2,1-3H3
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (human))
BDBM200471
PNG
(US9227969, 57)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)C[C@H]1F)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1/C29H24ClF2N7O/c1-16-5-8-34-29(36-16)40-18-3-4-19(22(30)11-18)20-12-21-25(13-23(20)31)35-14-26-28(21)39(17(2)37-26)27-6-9-38(10-7-33)15-24(27)32/h3-5,8,11-14,24,27H,6,9-10,15H2,1-2H3/t24-,27+/s2
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NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)

More data for this
Ligand-Target Pair
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