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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with Target = 'C-Raf TR (1-324)'   
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
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202665
PNG
(US9242969, 10 | US9694016, 10)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-37-12-8-34)33-26(32-23)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.118n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202665
PNG
(US9242969, 10 | US9694016, 10)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-37-12-8-34)33-26(32-23)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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PC sid
UniChem
Article
US Patent
n/an/a 0.120n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202696
PNG
(US9242969, 42 | US9694016, 42)
Show SMILES CC(=C)c1cc(nc(n1)N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H25F3N4O2/c1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)
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PC sid
UniChem
US Patent
n/an/a 0.137n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202656
PNG
(US9242969, 1 | US9694016, 1)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31)
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PC sid
UniChem
Article
US Patent
n/an/a 0.140n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202696
PNG
(US9242969, 42 | US9694016, 42)
Show SMILES CC(=C)c1cc(nc(n1)N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H25F3N4O2/c1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.140n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202656
PNG
(US9242969, 1 | US9694016, 1)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.144n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202772
PNG
(US9242969, 119 | US9694016, 119)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn(C)c(=O)c(n1)N1CCOCC1
Show InChI InChI=1S/C24H23F3N4O3/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-30(2)23(33)21(29-20)31-8-10-34-11-9-31/h3-7,12-14H,8-11H2,1-2H3,(H,28,32)
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PC sid
UniChem
Article
US Patent
n/an/a 0.270n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202772
PNG
(US9242969, 119 | US9694016, 119)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn(C)c(=O)c(n1)N1CCOCC1
Show InChI InChI=1S/C24H23F3N4O3/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-30(2)23(33)21(29-20)31-8-10-34-11-9-31/h3-7,12-14H,8-11H2,1-2H3,(H,28,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.270n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202771
PNG
(US9242969, 118 | US9694016, 118)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cncc(n1)N1CCOCC1
Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(28-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-27-14-21(29-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,28,31)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.308n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202771
PNG
(US9242969, 118 | US9694016, 118)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cncc(n1)N1CCOCC1
Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(28-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-27-14-21(29-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,28,31)
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PC sid
UniChem
Article
US Patent
n/an/a 0.310n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202697
PNG
(US9242969, 43)
Show SMILES CC(=C)c1cc(nc(n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.376n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202718
PNG
(US9242969, 64 | US9694016, 111)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ccn1)N1CCOCC1
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.400n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202764
PNG
(US9242969, 111 | US9694016, 64)
Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.403n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202661
PNG
(US9242969, 6 | US9694016, 6)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-9-13-40(37,38)14-10-34)33-26(32-23)35-7-11-39-12-8-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.408n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202661
PNG
(US9242969, 6 | US9694016, 6)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-9-13-40(37,38)14-10-34)33-26(32-23)35-7-11-39-12-8-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.410n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202845
PNG
(US9242969, 198 | US9694016, 198)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(s1)N1CCOCC1
Show InChI InChI=1S/C22H20F3N3O2S/c1-14-5-6-17(27-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-26-21(31-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,27,29)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.455n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202845
PNG
(US9242969, 198 | US9694016, 198)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(s1)N1CCOCC1
Show InChI InChI=1S/C22H20F3N3O2S/c1-14-5-6-17(27-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-26-21(31-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,27,29)
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.460n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202717
PNG
(US9242969, 63 | US9694016, 63)
Show SMILES Cc1ccc(cc1-c1ccnc(c1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-18(23(31)29-20-4-2-3-19(15-20)24(25,26)27)13-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
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PC cid
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US Patent
n/an/a 0.508n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202717
PNG
(US9242969, 63 | US9694016, 63)
Show SMILES Cc1ccc(cc1-c1ccnc(c1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-18(23(31)29-20-4-2-3-19(15-20)24(25,26)27)13-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
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Article
US Patent
n/an/a 0.510n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202663
PNG
(US9242969, 8 | US9242969, 9 | US9694016, 8)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCS(=O)(=O)CC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-39-12-8-34)33-26(32-23)35-9-13-40(37,38)14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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PC sid
UniChem
Article
US Patent
n/an/a 0.510n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202663
PNG
(US9242969, 8 | US9242969, 9 | US9694016, 8)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCS(=O)(=O)CC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-39-12-8-34)33-26(32-23)35-9-13-40(37,38)14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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US Patent
n/an/a 0.514n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202668
PNG
(US9242969, 13 | US9694016, 13)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(cc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-21(31-26(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)25-32-23(34-7-11-37-12-8-34)17-24(33-25)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.530n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202668
PNG
(US9242969, 13 | US9694016, 13)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(cc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-21(31-26(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)25-32-23(34-7-11-37-12-8-34)17-24(33-25)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.533n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202666
PNG
(US9242969, 11 | US9694016, 11)
Show SMILES Cc1ccc(cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-19(25(36)31-21-4-2-3-20(16-21)27(28,29)30)15-22(18)23-17-24(34-7-11-37-12-8-34)33-26(32-23)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.580n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202666
PNG
(US9242969, 11 | US9694016, 11)
Show SMILES Cc1ccc(cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-19(25(36)31-21-4-2-3-20(16-21)27(28,29)30)15-22(18)23-17-24(34-7-11-37-12-8-34)33-26(32-23)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.580n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202843
PNG
(US9242969, 196 | US9694016, 196)
Show SMILES COc1cc(nc(c1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C25H24F3N3O3/c1-16-6-7-19(29-24(32)17-4-3-5-18(12-17)25(26,27)28)13-21(16)22-14-20(33-2)15-23(30-22)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,32)
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n/an/a 0.620n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202843
PNG
(US9242969, 196 | US9694016, 196)
Show SMILES COc1cc(nc(c1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C25H24F3N3O3/c1-16-6-7-19(29-24(32)17-4-3-5-18(12-17)25(26,27)28)13-21(16)22-14-20(33-2)15-23(30-22)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,32)
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n/an/a 0.621n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202698
PNG
(US9242969, 44 | US9694016, 44)
Show SMILES CC(C)c1cc(nc(n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C26H27F3N4O2/c1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,30,34)
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n/an/a 0.710n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202698
PNG
(US9242969, 44 | US9694016, 44)
Show SMILES CC(C)c1cc(nc(n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C26H27F3N4O2/c1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,30,34)
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n/an/a 0.714n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202669
PNG
(US9242969, 14 | US9694016, 14)
Show SMILES Cc1ccc(cc1-c1nc(cc(n1)N1CCOCC1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-19(26(36)31-21-4-2-3-20(16-21)27(28,29)30)15-22(18)25-32-23(34-7-11-37-12-8-34)17-24(33-25)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.800n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202669
PNG
(US9242969, 14 | US9694016, 14)
Show SMILES Cc1ccc(cc1-c1nc(cc(n1)N1CCOCC1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-19(26(36)31-21-4-2-3-20(16-21)27(28,29)30)15-22(18)25-32-23(34-7-11-37-12-8-34)17-24(33-25)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.803n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202718
PNG
(US9242969, 64 | US9694016, 111)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ccn1)N1CCOCC1
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
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n/an/a 0.847n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202764
PNG
(US9242969, 111 | US9694016, 64)
Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
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n/an/a 0.850n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202663
PNG
(US9242969, 8 | US9242969, 9 | US9694016, 8)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCS(=O)(=O)CC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-39-12-8-34)33-26(32-23)35-9-13-40(37,38)14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.899n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM77059
PNG
(US9694016, 9)
Show SMILES Cc1ccc(cc1-c1cc(nc(n1)N1CCS(=O)(=O)CC1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-19(25(36)31-21-4-2-3-20(16-21)27(28,29)30)15-22(18)23-17-24(34-7-11-39-12-8-34)33-26(32-23)35-9-13-40(37,38)14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 0.900n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202699
PNG
(US9242969, 45 | US9694016, 45)
Show SMILES CC(C)c1cc(nc(n1)N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H27F3N4O2/c1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,30,34)
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n/an/a 1.02n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202699
PNG
(US9242969, 45 | US9694016, 45)
Show SMILES CC(C)c1cc(nc(n1)N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H27F3N4O2/c1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,30,34)
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n/an/a 1.02n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202662
PNG
(US9242969, 7 | US9694016, 7)
Show SMILES Cc1ccc(cc1-c1cc(nc(n1)N1CCOCC1)N1CCS(=O)(=O)CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-19(25(36)31-21-4-2-3-20(16-21)27(28,29)30)15-22(18)23-17-24(34-9-13-40(37,38)14-10-34)33-26(32-23)35-7-11-39-12-8-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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n/an/a 1.11n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202662
PNG
(US9242969, 7 | US9694016, 7)
Show SMILES Cc1ccc(cc1-c1cc(nc(n1)N1CCOCC1)N1CCS(=O)(=O)CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-5-6-19(25(36)31-21-4-2-3-20(16-21)27(28,29)30)15-22(18)23-17-24(34-9-13-40(37,38)14-10-34)33-26(32-23)35-7-11-39-12-8-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)
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Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202846
PNG
(US9242969, 199 | US9694016, 199)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C22H20F3N3O2S/c1-14-5-6-17(26-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-31-21(27-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,26,29)
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n/an/a 1.29n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202846
PNG
(US9242969, 199 | US9694016, 199)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C22H20F3N3O2S/c1-14-5-6-17(26-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-31-21(27-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,26,29)
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Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202657
PNG
(US9242969, 2 | US9694016, 2)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)
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NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)

More data for this
Ligand-Target Pair
C-Raf TR (1-324)


(Homo sapiens (Human))
BDBM202657
PNG
(US9242969, 2 | US9694016, 2)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)
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Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


Citation and Details
More data for this
Ligand-Target Pair