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Patent code US9242969

Compile Data Set for Download or QSAR

Found 416 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202851
PNG
(US10245267, Example 829 | US10709712, Example 204 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C25H21F3N4O2S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,29,33)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.0390n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202729
PNG
(US10245267, Example 75 | US10709712, Example 75 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)
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PC sid
UniChem
US Patent
n/an/a 0.0560n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202850
PNG
(US10245267, Example 824 | US10709712, Example 203 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn2ccnc2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)
PDB

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UniChem
US Patent
n/an/a 0.0650n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202696
PNG
(US10245267, Example 43 | US10709712, Example 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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US Patent
n/an/a 0.0900n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202665
PNG
(US10245267, Example 10 | US10709712, Example 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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PC sid
UniChem
US Patent
n/an/a 0.103n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202800
PNG
(US10245267, Example 147 | US10709712, Example 147 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(CC#N)c1
Show InChI InChI=1S/C26H23F3N4O3/c1-17-5-6-21(31-24(34)18-3-2-4-20(13-18)26(27,28)29)15-22(17)19-14-23(32-9-11-36-12-10-32)25(35)33(16-19)8-7-30/h2-6,13-16H,8-12H2,1H3,(H,31,34)
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PC sid
UniChem
US Patent
n/an/a 0.103n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202682
PNG
(US10245267, Example 38 | US10709712, Example 38 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)S(C)(=O)=O)N1CCOCC1
Show InChI InChI=1S/C24H23F3N4O4S/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)30-23(29-20)36(2,33)34/h3-7,12-14H,8-11H2,1-2H3,(H,28,32)
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UniChem
US Patent
n/an/a 0.110n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202747
PNG
(US10245267, Example 93 | US10709712, Example 93 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N)nc(c1)N1CCOCC1
Show InChI InChI=1S/C24H23F3N4O2/c1-15-5-6-19(29-23(32)16-3-2-4-18(11-16)24(25,26)27)14-20(15)17-12-21(28)30-22(13-17)31-7-9-33-10-8-31/h2-6,11-14H,7-10H2,1H3,(H2,28,30)(H,29,32)
PDB

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PC sid
UniChem
US Patent
n/an/a 0.117n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [1-324]


(Homo sapiens (Human))		BDBM202665
PNG
(US10245267, Example 10 | US10709712, Example 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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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202784
PNG
(US10245267, Example 131 | US10709712, Example 131 ...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)
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PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 0.119n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202830
PNG
(US10245267, Example 177 | US10709712, Example 177 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C26H27F2N3O3/c1-17-7-8-21(29-24(32)18-5-4-6-20(13-18)26(2,27)28)15-22(17)19-14-23(25(33)30(3)16-19)31-9-11-34-12-10-31/h4-8,13-16H,9-12H2,1-3H3,(H,29,32)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 0.122n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202722
PNG
(US10245267, Example 68 | US10709712, Example 68 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(C)(=O)=O)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C24H25N3O4S/c1-17-6-7-20(26-24(28)19-4-3-5-21(14-19)32(2,29)30)16-22(17)18-8-9-25-23(15-18)27-10-12-31-13-11-27/h3-9,14-16H,10-13H2,1-2H3,(H,26,28)
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US Patent
n/an/a 0.124n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202731
PNG
(US10245267, Example 77 | US10709712, Example 77 | ...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(c1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O3/c1-18-23(16-22(17-31-18)32-26(36)19-3-2-4-21(13-19)27(28,29)30)20-14-24(34-5-9-37-10-6-34)33-25(15-20)35-7-11-38-12-8-35/h2-4,13-17H,5-12H2,1H3,(H,32,36)
PDB

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US Patent
n/an/a 0.130n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202695
PNG
(US10245267, Example 40 | US10709712, Example 40 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(OCCO)n1)N1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34)
PDB

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UniChem
US Patent
n/an/a 0.132n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202688
PNG
(US10245267, Example 33 | US10709712, Example 33 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)-n1ccnc1)N1CCOCC1
Show InChI InChI=1S/C26H23F3N6O2/c1-17-5-6-20(31-24(36)18-3-2-4-19(13-18)26(27,28)29)14-21(17)22-15-23(34-9-11-37-12-10-34)33-25(32-22)35-8-7-30-16-35/h2-8,13-16H,9-12H2,1H3,(H,31,36)
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n/an/a 0.134n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [1-324]


(Homo sapiens (Human))		BDBM202696
PNG
(US10245267, Example 43 | US10709712, Example 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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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202673
PNG
(US10245267, Example 18 | US10709712, Example 18 | ...)
Show SMILES CN(C)c1cncc(c1)C(=O)Nc1ccc(C)c(c1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H33N7O3/c1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h4-5,14-18H,6-13H2,1-3H3,(H,29,35)
PDB

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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [1-324]


(Homo sapiens (Human))		BDBM202656
PNG
(US10245267, Example 1 | US10709712, Example 1 | US...)
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

UniProtKB/SwissProt

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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202656
PNG
(US10245267, Example 1 | US10709712, Example 1 | US...)
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

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.145n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202658
PNG
(US10245267, Example 3 | US10709712, Example 3 | US...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1=O
Show InChI InChI=1S/C27H26F3N5O4/c1-17-5-6-20(31-25(37)18-3-2-4-19(13-18)27(28,29)30)14-21(17)22-15-23(35-9-12-39-16-24(35)36)33-26(32-22)34-7-10-38-11-8-34/h2-6,13-15H,7-12,16H2,1H3,(H,31,37)
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n/an/a 0.148n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM202851
PNG
(US10245267, Example 829 | US10709712, Example 204 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C25H21F3N4O2S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,29,33)
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n/an/a 0.152n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202849
PNG
(US10245267, Example 828 | US10709712, Example 202 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc2nccn2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22-29-7-8-33(22)24(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)
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n/an/a 0.155n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202771
PNG
(US10245267, Example 118 | US10709712, Example 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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n/an/a 0.156n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202832
PNG
(US10245267, Example 179 | US10709712, Example 179 ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C24H23F3N4O3/c1-15-3-4-18(29-22(32)16-5-6-28-21(12-16)24(25,26)27)13-19(15)17-11-20(23(33)30(2)14-17)31-7-9-34-10-8-31/h3-6,11-14H,7-10H2,1-2H3,(H,29,32)
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n/an/a 0.160n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202753
PNG
(US10245267, Example 99 | US10709712, Example 99 | ...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C23H22F2N4O2/c1-15-20(16-5-6-26-21(12-16)29-7-9-31-10-8-29)13-19(14-27-15)28-23(30)18-4-2-3-17(11-18)22(24)25/h2-6,11-14,22H,7-10H2,1H3,(H,28,30)
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n/an/a 0.160n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202716
PNG
(US10245267, Example 62 | US10709712, Example 62 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(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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n/an/a 0.161n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202856
PNG
(US10709712, Example 209 | US9242969, 209)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc2[nH]cnc2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H22F3N5O2/c1-15-5-6-18(31-24(34)16-3-2-4-17(11-16)25(26,27)28)12-19(15)20-13-21-22(30-14-29-21)23(32-20)33-7-9-35-10-8-33/h2-6,11-14H,7-10H2,1H3,(H,29,30)(H,31,34)
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n/an/a 0.171n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202831
PNG
(US10245267, Example 178 | US10709712, Example 178 ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C25H26F2N4O3/c1-16-4-5-19(29-23(32)17-6-7-28-22(13-17)25(2,26)27)14-20(16)18-12-21(24(33)30(3)15-18)31-8-10-34-11-9-31/h4-7,12-15H,8-11H2,1-3H3,(H,29,32)
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n/an/a 0.172n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202711
PNG
(US10245267, Example 57 | US10709712, Example 57 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(nc(N2CCOCC2)c1C)N1CCOCC1
Show InChI InChI=1S/C28H30F3N5O3/c1-18-6-7-22(32-26(37)20-4-3-5-21(16-20)28(29,30)31)17-23(18)24-19(2)25(35-8-12-38-13-9-35)34-27(33-24)36-10-14-39-15-11-36/h3-7,16-17H,8-15H2,1-2H3,(H,32,37)
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n/an/a 0.179n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202822
PNG
(US10245267, Example 169 | US10709712, Example 169 ...)
Show SMILES CCn1cc(nc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H25F3N4O3/c1-3-31-15-21(30-22(24(31)34)32-9-11-35-12-10-32)20-14-19(8-7-16(20)2)29-23(33)17-5-4-6-18(13-17)25(26,27)28/h4-8,13-15H,3,9-12H2,1-2H3,(H,29,33)
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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202750
PNG
(US10245267, Example 96 | US10709712, Example 96 | ...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C23H21F3N4O2/c1-15-20(16-5-6-27-21(12-16)30-7-9-32-10-8-30)13-19(14-28-15)29-22(31)17-3-2-4-18(11-17)23(24,25)26/h2-6,11-14H,7-10H2,1H3,(H,29,31)
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n/an/a 0.182n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202852
PNG
(US10245267, Example 825 | US10709712, Example 205 ...)
Show SMILES C[C@@H]1COCCN1c1nc(cn2ccnc12)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C |r|
Show InChI InChI=1S/C26H24F3N5O2/c1-16-6-7-20(31-25(35)18-4-3-5-19(12-18)26(27,28)29)13-21(16)22-14-33-9-8-30-23(33)24(32-22)34-10-11-36-15-17(34)2/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,31,35)/t17-/m1/s1
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n/an/a 0.185n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202773
PNG
(US10245267, Example 120 | US10709712, Example 120 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1c[nH]c(=O)c(n1)N1CCOCC1
Show InChI InChI=1S/C23H21F3N4O3/c1-14-5-6-17(28-21(31)15-3-2-4-16(11-15)23(24,25)26)12-18(14)19-13-27-22(32)20(29-19)30-7-9-33-10-8-30/h2-6,11-13H,7-10H2,1H3,(H,27,32)(H,28,31)
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n/an/a 0.187n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202719
PNG
(US10245267, Example 65 | US10709712, Example 65 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(c1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C28H29F3N4O3/c1-19-5-6-23(32-27(36)20-3-2-4-22(15-20)28(29,30)31)18-24(19)21-16-25(34-7-11-37-12-8-34)33-26(17-21)35-9-13-38-14-10-35/h2-6,15-18H,7-14H2,1H3,(H,32,36)
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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202710
PNG
(US10245267, Example 56 | US10709712, Example 56 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(OC2CCOCC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C28H29F3N4O4/c1-18-5-6-21(32-26(36)19-3-2-4-20(15-19)28(29,30)31)16-23(18)24-17-25(39-22-7-11-37-12-8-22)34-27(33-24)35-9-13-38-14-10-35/h2-6,15-17,22H,7-14H2,1H3,(H,32,36)
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n/an/a 0.191n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202806
PNG
(US10245267, Example 153 | US10709712, Example 153 ...)
Show SMILES C[C@@H](Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)C#N |r|
Show InChI InChI=1S/C27H25F3N4O3/c1-17-6-7-22(33-25(35)19-4-3-5-21(12-19)27(28,29)30)14-23(17)20-13-24(34-8-10-36-11-9-34)26(32-16-20)37-18(2)15-31/h3-7,12-14,16,18H,8-11H2,1-2H3,(H,33,35)/t18-/m1/s1
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n/an/a 0.196n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202692
PNG
(US10245267, Example 37 | US10709712, Example 37 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)-n1cc(nn1)C(C)(C)O)N1CCOCC1
Show InChI InChI=1S/C28H28F3N7O3/c1-17-7-8-20(32-25(39)18-5-4-6-19(13-18)28(29,30)31)14-21(17)22-15-24(37-9-11-41-12-10-37)34-26(33-22)38-16-23(35-36-38)27(2,3)40/h4-8,13-16,40H,9-12H2,1-3H3,(H,32,39)
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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202732
PNG
(US10245267, Example 78 | US10709712, Example 78 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnc(c1)N1CCO[C@H](CO)C1 |r|
Show InChI InChI=1S/C25H24F3N3O3/c1-16-5-6-20(30-24(33)18-3-2-4-19(11-18)25(26,27)28)13-22(16)17-7-8-29-23(12-17)31-9-10-34-21(14-31)15-32/h2-8,11-13,21,32H,9-10,14-15H2,1H3,(H,30,33)/t21-/m0/s1
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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202677
PNG
(US10245267, Example 22 | US10709712, Example 22 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O4/c1-18-5-6-20(31-25(36)19-3-2-4-21(15-19)39-27(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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n/an/a 0.202n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202847
PNG
(US10245267, Example 831 | US10709712, Example 200 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c2nccn2n1
Show InChI InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-9-11-35-12-10-32)23-29-7-8-33(23)31-21/h2-8,13-15H,9-12H2,1H3,(H,30,34)
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n/an/a 0.205n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202686
PNG
(US10245267, Example 31 | US10709712, Example 31 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(NCCO)n1)N1CCOCC1
Show InChI InChI=1S/C25H26F3N5O3/c1-16-5-6-19(30-23(35)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(33-8-11-36-12-9-33)32-24(31-21)29-7-10-34/h2-6,13-15,34H,7-12H2,1H3,(H,30,35)(H,29,31,32)
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n/an/a 0.210n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202824
PNG
(US10245267, Example 171 | US10709712, Example 171 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C25H25F2N3O3/c1-16-6-7-20(28-24(31)18-5-3-4-17(12-18)23(26)27)14-21(16)19-13-22(25(32)29(2)15-19)30-8-10-33-11-9-30/h3-7,12-15,23H,8-11H2,1-2H3,(H,28,31)
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n/an/a 0.213n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202683
PNG
(US9242969, 28 | US9694016, 28)
Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C25H26F3N5O2/c1-3-29-24-31-21(15-22(32-24)33-9-11-35-12-10-33)20-14-19(8-7-16(20)2)30-23(34)17-5-4-6-18(13-17)25(26,27)28/h4-8,13-15H,3,9-12H2,1-2H3,(H,30,34)(H,29,31,32)
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n/an/a 0.214n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202815
PNG
(US10245267, Example 162 | US10709712, Example 162 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
Show InChI InChI=1S/C25H24F3N3O3/c1-16-6-7-20(29-24(33)17-4-3-5-19(12-17)25(26,27)28)15-21(16)18-13-22(30(2)23(32)14-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,33)
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n/an/a 0.215n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202799
PNG
(US10245267, Example 146 | US10709712, Example 146 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1c[nH]c(=O)c(c1)N1CCOCC1
Show InChI InChI=1S/C24H22F3N3O3/c1-15-5-6-19(29-22(31)16-3-2-4-18(11-16)24(25,26)27)13-20(15)17-12-21(23(32)28-14-17)30-7-9-33-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,28,32)(H,29,31)
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n/an/a 0.219n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202854
PNG
(US10245267, Example 826 | US10709712, Example 207 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c2oc(=O)[nH]c2c1
Show InChI InChI=1S/C26H22F3N3O4/c1-15-5-6-19(30-24(33)16-3-2-4-18(11-16)26(27,28)29)14-20(15)17-12-21-23(36-25(34)31-21)22(13-17)32-7-9-35-10-8-32/h2-6,11-14H,7-10H2,1H3,(H,30,33)(H,31,34)
PDB

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n/an/a 0.225n/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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202828
PNG
(US10245267, Example 175 | US10709712, Example 175 ...)
Show SMILES CN(C)c1cncc(c1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C25H29N5O3/c1-17-5-6-20(27-24(31)18-11-21(28(2)3)15-26-14-18)13-22(17)19-12-23(25(32)29(4)16-19)30-7-9-33-10-8-30/h5-6,11-16H,7-10H2,1-4H3,(H,27,31)
PDB

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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202821
PNG
(US10245267, Example 168 | US10709712, Example 168 ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
Show InChI InChI=1S/C23H22F3N5O3/c1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33)30(2)29-18)31-7-9-34-10-8-31/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)
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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202704
PNG
(US10245267, Example 50 | US10709712, Example 50 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCCOCC1
Show InChI InChI=1S/C28H30F3N5O3/c1-19-6-7-22(32-26(37)20-4-2-5-21(16-20)28(29,30)31)17-23(19)24-18-25(35-8-3-12-38-13-9-35)34-27(33-24)36-10-14-39-15-11-36/h2,4-7,16-18H,3,8-15H2,1H3,(H,32,37)
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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E]


(Homo sapiens (Human))		BDBM202727
PNG
(US10245267, Example 73 | US10709712, Example 73 | ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)S(C)(=O)=O)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C23H24N4O4S/c1-16-3-4-19(26-23(28)18-6-8-25-22(14-18)32(2,29)30)15-20(16)17-5-7-24-21(13-17)27-9-11-31-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,26,28)
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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 ...

US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%