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Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'samajdar' and Initial = 's'   
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
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200424
PNG
(US9227969, 51 | US9629836, 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=1S/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-/m0/s1
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US Patent
n/an/a 1n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200424
PNG
(US9227969, 51 | US9629836, 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=1S/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-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200427
PNG
(US9227969, 54 | US9629836, 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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n/an/a 1.5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200427
PNG
(US9227969, 54 | US9629836, 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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PC sid
UniChem
Article
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n/an/a 1.5n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200420
PNG
(US9227969, 47 | US9629836, 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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n/an/a 1.70n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200420
PNG
(US9227969, 47 | US9629836, 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
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.70n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200417
PNG
(US9227969, 44 | US9629836, 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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PC sid
UniChem
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n/an/a 2n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200417
PNG
(US9227969, 44 | US9629836, 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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n/an/a 2n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200436
PNG
(US9227969, 65 | US9629836, 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)
PDB

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n/an/a 2.40n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200436
PNG
(US9227969, 65 | US9629836, 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)
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.40n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200460
PNG
(US9227969, 89 | US9629836, 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=1S/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-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.60n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200461
PNG
(US9227969, 90 | US9629836, 90)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C
Show InChI InChI=1S/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-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.60n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200460
PNG
(US9227969, 89 | US9629836, 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=1S/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-/m0/s1
PDB

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n/an/a 2.60n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200461
PNG
(US9227969, 90 | US9629836, 90)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C
Show InChI InChI=1S/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-/m0/s1
PDB

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n/an/a 2.60n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200409
PNG
(US9227969, 37 | US9629836, 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)
PDB

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n/an/a 2.70n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200409
PNG
(US9227969, 37 | US9629836, 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)
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.70n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200465
PNG
(US9227969, 94 | US9629836, 94)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/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-/m0/s1
PDB

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n/an/a 2.70n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200465
PNG
(US9227969, 94 | US9629836, 94)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/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-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.70n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200403
PNG
(US9227969, 31 | US9629836, 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)
PDB

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n/an/a 3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200403
PNG
(US9227969, 31 | US9629836, 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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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM323134
PNG
(US9629836, 58)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2nccc(C)n2)cc1Cl
Show InChI InChI=1S/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-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200444
PNG
(US9227969, 73 | US9629836, 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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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200444
PNG
(US9227969, 73 | US9629836, 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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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200400
PNG
(US9227969, 28 | US9629836, 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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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200400
PNG
(US9227969, 28 | US9629836, 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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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM323138
PNG
(US9629836, 62)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)CC4F)c(C)nc3cnc2cc1F
Show InChI InChI=1S/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-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200446
PNG
(US9227969, 75 | US9629836, 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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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200446
PNG
(US9227969, 75 | US9629836, 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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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200441
PNG
(US9227969, 70 | US9629836, 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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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200398
PNG
(US9227969, 26 | US9629836, 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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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200398
PNG
(US9227969, 26 | US9629836, 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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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200441
PNG
(US9227969, 70 | US9629836, 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)


BindingDB Entry DOI: 10.7270/Q2W094RM
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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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM323158
PNG
(US9629836, 82)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1(C)CCN(CC1)C(N)=O)-c1ccc(Oc2nccn(C)c2=O)cc1Cl
Show InChI InChI=1S/C29H27ClFN7O3/c1-16-35-24-15-34-23-14-22(31)19(13-20(23)25(24)38(16)29(2)6-9-37(10-7-29)28(32)40)18-5-4-17(12-21(18)30)41-26-27(39)36(3)11-8-33-26/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H2,32,40)
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NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200410
PNG
(US9227969, 38 | US9629836, 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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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200410
PNG
(US9227969, 38 | US9629836, 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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NOVARTIS AG

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Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200439
PNG
(US9227969, 68 | US9629836, 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=1S/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-/m0/s1
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n/an/a 4.70n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200439
PNG
(US9227969, 68 | US9629836, 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=1S/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-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200372
PNG
(US9227969, 1A | US9629836, 1A)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/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-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200372
PNG
(US9227969, 1A | US9629836, 1A)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/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-/m0/s1
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200435
PNG
(US9227969, 64 | US9629836, 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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n/an/a 5.30n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200435
PNG
(US9227969, 64 | US9629836, 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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n/an/a 5.30n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM323164
PNG
(US9629836, 88)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC4F)C(=O)CO)c(C)nc3cnc2cc1F
Show InChI InChI=1S/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-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200426
PNG
(US9227969, 53 | US9227969, 87 | US9629836, 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=1S/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-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200426
PNG
(US9227969, 53 | US9227969, 87 | US9629836, 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=1S/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-/m0/s1
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n/an/a 6.20n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200426
PNG
(US9227969, 53 | US9227969, 87 | US9629836, 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=1S/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-/m0/s1
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n/an/a 6.20n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200426
PNG
(US9227969, 53 | US9227969, 87 | US9629836, 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=1S/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-/m0/s1
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UniChem
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n/an/a 6.20n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)


Article DOI: 10.1021/jm900007a
More data for this
Ligand-Target Pair
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