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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene C-Raf (C-Raf TR)' AND taxid = 9606   
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
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202665
PNG
(US9242969, 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)
PDB

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US Patent
n/an/a 0.118n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202696
PNG
(US9242969, 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)
PDB

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AffyNet 
US Patent
n/an/a 0.137n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202656
PNG
(US9242969, 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)
PDB

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US Patent
n/an/a 0.144n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202772
PNG
(US9242969, 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)
PDB

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n/an/a 0.270n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202771
PNG
(US9242969, 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)
PDB

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US Patent
n/an/a 0.308n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(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)
PDB

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US Patent
n/an/a 0.376n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202764
PNG
(US9242969, 111)
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)
PDB

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US Patent
n/an/a 0.403n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202661
PNG
(US9242969, 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)
PDB

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PC sid
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AffyNet 
US Patent
n/an/a 0.408n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202845
PNG
(US9242969, 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)
PDB

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n/an/a 0.455n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202717
PNG
(US9242969, 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)
PDB

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AffyNet 
US Patent
n/an/a 0.508n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202663
PNG
(US9242969, 8 | US9242969, 9)
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)
PDB

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PC sid
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AffyNet 
US Patent
n/an/a 0.514n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202668
PNG
(US9242969, 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)
PDB

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US Patent
n/an/a 0.533n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202666
PNG
(US9242969, 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)
PDB

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US Patent
n/an/a 0.580n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202843
PNG
(US9242969, 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)
PDB

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PC sid
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AffyNet 
US Patent
n/an/a 0.621n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202698
PNG
(US9242969, 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)
PDB

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PC sid
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AffyNet 
US Patent
n/an/a 0.714n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202669
PNG
(US9242969, 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)
PDB

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PC sid
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AffyNet 
US Patent
n/an/a 0.803n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202718
PNG
(US9242969, 64)
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)
PDB

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PC sid
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AffyNet 
US Patent
n/an/a 0.847n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202663
PNG
(US9242969, 8 | US9242969, 9)
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)
PDB

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AffyNet 
US Patent
n/an/a 0.899n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202699
PNG
(US9242969, 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)
PDB

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AffyNet 
US Patent
n/an/a 1.02n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202662
PNG
(US9242969, 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)
PDB

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PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 1.11n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202846
PNG
(US9242969, 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)
PDB

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PC sid
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AffyNet 
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n/an/a 1.29n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene C-Raf (C-Raf TR)


(Homo sapiens (human))
BDBM202657
PNG
(US9242969, 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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US Patent
n/an/a 2.95n/an/an/an/an/an/a



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 ...


US Patent US9242969 (2016)

More data for this
Ligand-Target Pair