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Found 1265 hits of Enz. Inhib. data with enzyme = 'B-RAF V600E' and Substrate = 'MEK1 (K97R)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM87369
PNG
(US10245267, Example 704 | US9694016, 704)
Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1C)N1CCOCC1
Show InChI InChI=1S/C25H29N5O4S/c1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 0.0200n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202851
PNG
(US10245267, Example 829 | US9242969, 204 | US96940...)
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 0.200n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87741
PNG
(US10245267, Example 777 | US9694016, 777)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(nc(OC2CNC2)n1)N1CCOCC1
Show InChI InChI=1S/C28H31N7O3/c1-18-4-5-20(32-26(36)19-6-7-31-24(12-19)28(2,3)17-29)13-22(18)23-14-25(35-8-10-37-11-9-35)34-27(33-23)38-21-15-30-16-21/h4-7,12-14,21,30H,8-11,15-16H2,1-3H3,(H,32,36)
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n/an/a 0.200n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87817
PNG
(US10245267, Example 847 | US9694016, 847)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c2nccn2n1
Show InChI InChI=1S/C25H23F2N5O2/c1-16-5-6-19(29-25(33)18-4-2-3-17(13-18)23(26)27)14-20(16)21-15-22(31-9-11-34-12-10-31)24-28-7-8-32(24)30-21/h2-8,13-15,23H,9-12H2,1H3,(H,29,33)
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n/an/a 0.200n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87803
PNG
(US10245267, Example 837 | US9694016, 837)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2n(C)ncc2n1
Show InChI InChI=1S/C25H23F3N6O2/c1-15-6-7-18(30-24(35)16-4-3-5-17(12-16)25(26,27)28)13-19(15)22-31-20-14-29-33(2)21(20)23(32-22)34-8-10-36-11-9-34/h3-7,12-14H,8-11H2,1-2H3,(H,30,35)
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n/an/a 0.200n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202656
PNG
(US10245267, Example 1 | US9242969, 1 | US9694016, ...)
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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n/an/a 0.300n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM84273
PNG
(US10245267, Example 561 | US9694016, 561)
Show SMILES CCOc1nnc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)F)ccc1C
Show InChI InChI=1S/C25H26F2N4O3/c1-3-34-25-22(31-9-11-33-12-10-31)15-21(29-30-25)20-14-19(8-7-16(20)2)28-24(32)18-6-4-5-17(13-18)23(26)27/h4-8,13-15,23H,3,9-12H2,1-2H3,(H,28,32)
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n/an/a 0.300n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202665
PNG
(US10245267, Example 10 | US9242969, 10 | US9694016...)
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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n/an/a 0.300n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87922
PNG
(US10245267, Example 951 | US9694016, 951)
Show SMILES CC(C)Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cncc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-6-8-35-9-7-33)11-18(14-31-25)22-12-21(5-4-17(22)3)32-24(34)19-10-20(15-30-13-19)26(27,28)29/h4-5,10-16H,6-9H2,1-3H3,(H,32,34)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202665
PNG
(US10245267, Example 10 | US9242969, 10 | US9694016...)
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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n/an/a 0.330n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202729
PNG
(US10245267, Example 75 | US9242969, 75 | US9694016...)
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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n/an/a 0.380n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM88127
PNG
(US10245267, Example 1162 | US9694016, 1162)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C26H29N5O4/c1-17-2-5-21(28-26(33)20-12-23(18-3-4-18)30-27-16-20)15-22(17)19-13-24(31-6-9-34-10-7-31)29-25(14-19)35-11-8-32/h2,5,12-16,18,32H,3-4,6-11H2,1H3,(H,28,33)
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n/an/a 0.380n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202729
PNG
(US10245267, Example 75 | US9242969, 75 | US9694016...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87771
PNG
(US10245267, Example 805 | US9694016, 805)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)F)cc1-c1cc(N2CCOCC2)n2nccc2n1
Show InChI InChI=1S/C24H22F2N6O2/c1-15-2-3-17(29-24(33)16-4-6-27-20(12-16)23(25)26)13-18(15)19-14-22(31-8-10-34-11-9-31)32-21(30-19)5-7-28-32/h2-7,12-14,23H,8-11H2,1H3,(H,29,33)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202850
PNG
(US10245267, Example 824 | US9242969, 203 | US96940...)
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)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87818
PNG
(US10245267, Example 848 | US9694016, 848)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c2nccn2c1
Show InChI InChI=1S/C26H24F2N4O2/c1-17-5-6-21(30-26(33)19-4-2-3-18(13-19)24(27)28)15-22(17)20-14-23(31-9-11-34-12-10-31)25-29-7-8-32(25)16-20/h2-8,13-16,24H,9-12H2,1H3,(H,30,33)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87829
PNG
(US10245267, Example 857 | US9694016, 857)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc2CCS(=O)(=O)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H23F3N4O4S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-37(34,35)21(20)23(31-22)32-8-10-36-11-9-32/h2-6,13-14H,7-12H2,1H3,(H,29,33)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM81185
PNG
(US10245267, Example 484 | US9694016, 484)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
Show InChI InChI=1S/C25H25F2N3O3/c1-16-6-7-20(28-25(32)18-5-3-4-17(12-18)24(26)27)15-21(16)19-13-22(29(2)23(31)14-19)30-8-10-33-11-9-30/h3-7,12-15,24H,8-11H2,1-2H3,(H,28,32)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM77771
PNG
(US10245267, Example 231 | US9694016, 231)
Show SMILES CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)F)ccc1C
Show InChI InChI=1S/C26H27F2N3O3/c1-3-34-26-23(31-9-11-33-12-10-31)14-20(16-29-26)22-15-21(8-7-17(22)2)30-25(32)19-6-4-5-18(13-19)24(27)28/h4-8,13-16,24H,3,9-12H2,1-2H3,(H,30,32)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM77778
PNG
(US10245267, Example 237 | US9694016, 237)
Show SMILES CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)F)ccc1C
Show InChI InChI=1S/C25H26F2N4O3/c1-3-34-25-22(31-8-10-33-11-9-31)13-18(15-29-25)20-14-19(5-4-16(20)2)30-24(32)17-6-7-28-21(12-17)23(26)27/h4-7,12-15,23H,3,8-11H2,1-2H3,(H,30,32)
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n/an/a 0.400n/an/an/an/a7.525



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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM77829
PNG
(US10245267, Example 276 | US9694016, 276)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
Show InChI InChI=1S/C29H33N5O4/c1-19-2-5-23(32-28(35)22-14-26(20-3-4-20)33-31-18-22)16-25(19)21-15-27(34-8-12-37-13-9-34)29(30-17-21)38-24-6-10-36-11-7-24/h2,5,14-18,20,24H,3-4,6-13H2,1H3,(H,32,35)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM81120
PNG
(US10245267, Example 413 | US9694016, 413)
Show SMILES Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C23H20ClF3N4O3/c1-30-13-15(10-19(22(30)33)31-6-8-34-9-7-31)17-12-16(2-3-18(17)24)29-21(32)14-4-5-28-20(11-14)23(25,26)27/h2-5,10-13H,6-9H2,1H3,(H,29,32)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM81178
PNG
(US10245267, Example 477 | US9694016, 477)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2CC2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
Show InChI InChI=1S/C26H28N4O3/c1-17-3-6-21(28-26(32)19-7-8-27-23(13-19)18-4-5-18)16-22(17)20-14-24(29(2)25(31)15-20)30-9-11-33-12-10-30/h3,6-8,13-16,18H,4-5,9-12H2,1-2H3,(H,28,32)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202772
PNG
(US10245267, Example 119 | US9242969, 119 | US96940...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202696
PNG
(US10245267, Example 43 | US9242969, 42 | US9694016...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM88121
PNG
(US10245267, Example 1157 | US9694016, 1157)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C27H30N4O4/c1-18-2-5-22(29-27(33)20-6-7-28-24(14-20)19-3-4-19)17-23(18)21-15-25(31-8-11-34-12-9-31)30-26(16-21)35-13-10-32/h2,5-7,14-17,19,32H,3-4,8-13H2,1H3,(H,29,33)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202688
PNG
(US10245267, Example 33 | US9242969, 33 | US9694016...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202673
PNG
(US10245267, Example 18 | US9242969, 18 | US9694016...)
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)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87921
PNG
(US10245267, Example 950 | US9694016, 950)
Show SMILES CC(C)Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)S(C)(=O)=O)ccc1C
Show InChI InChI=1S/C26H30N4O5S/c1-17(2)35-26-23(30-9-11-34-12-10-30)13-20(16-28-26)22-15-21(6-5-18(22)3)29-25(31)19-7-8-27-24(14-19)36(4,32)33/h5-8,13-17H,9-12H2,1-4H3,(H,29,31)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202784
PNG
(US10245267, Example 131 | US9242969, 131 | US96940...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-RAF V600E


(Homo sapiens (Human))
BDBM202658
PNG
(US10245267, Example 3 | US9242969, 3 | US9694016, ...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202673
PNG
(US10245267, Example 18 | US9242969, 18 | US9694016...)
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)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202688
PNG
(US10245267, Example 33 | US9242969, 33 | US9694016...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202718
PNG
(US10245267, Example 111 | US9242969, 64 | US969401...)
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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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM84313
PNG
(US10245267, Example 599 | US9694016, 599)
Show SMILES COCCOc1nnc(cc1N1CCOCC1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H26F3N5O4/c1-16-3-4-18(30-23(34)21-13-17(5-6-29-21)25(26,27)28)14-19(16)20-15-22(33-7-9-36-10-8-33)24(32-31-20)37-12-11-35-2/h3-6,13-15H,7-12H2,1-2H3,(H,30,34)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM77823
PNG
(US10245267, Example 270 | US9694016, 270)
Show SMILES CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)cnc1C
Show InChI InChI=1S/C23H24F3N7O2/c1-14-18(15-8-19(21(28-11-15)32(2)3)33-4-6-35-7-5-33)10-17(13-27-14)30-22(34)16-9-20(23(24,25)26)31-29-12-16/h8-13H,4-7H2,1-3H3,(H,30,34)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM77828
PNG
(US10245267, Example 275 | US9694016, 275)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
Show InChI InChI=1S/C27H28F3N5O4/c1-17-2-3-20(33-25(36)19-13-24(27(28,29)30)34-32-16-19)14-22(17)18-12-23(35-6-10-38-11-7-35)26(31-15-18)39-21-4-8-37-9-5-21/h2-3,12-16,21H,4-11H2,1H3,(H,33,36)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM84292
PNG
(US10245267, Example 580 | US9694016, 580)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
Show InChI InChI=1S/C27H28F3N5O4/c1-17-2-3-19(32-25(36)23-14-18(4-7-31-23)27(28,29)30)15-21(17)22-16-24(35-8-12-38-13-9-35)26(34-33-22)39-20-5-10-37-11-6-20/h2-4,7,14-16,20H,5-6,8-13H2,1H3,(H,32,36)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM84311
PNG
(US10245267, Example 597 | US9694016, 597)
Show SMILES COCCOc1nnc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
Show InChI InChI=1S/C26H29F2N5O4/c1-17-4-5-19(30-24(34)18-6-7-29-23(14-18)26(2,27)28)15-20(17)21-16-22(33-8-10-36-11-9-33)25(32-31-21)37-13-12-35-3/h4-7,14-16H,8-13H2,1-3H3,(H,30,34)
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n/an/a 0.5n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87373
PNG
(US10245267, Example 708 | US9694016, 708)
Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2ccnc(c2)C2(CC2)C#N)ccc1C)N1CCOCC1
Show InChI InChI=1S/C27H29N7O2/c1-3-29-26-32-22(16-24(33-26)34-10-12-36-13-11-34)21-15-20(5-4-18(21)2)31-25(35)19-6-9-30-23(14-19)27(17-28)7-8-27/h4-6,9,14-16H,3,7-8,10-13H2,1-2H3,(H,31,35)(H,29,32,33)
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n/an/a 0.5n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM88143
PNG
(US10245267, Example 1065 | US9694016, 1065)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(c1)N1CCOCC1)N1CC[C@@H](O)C1=O
Show InChI InChI=1/C28H27F3N4O4/c1-17-5-6-21(32-26(37)18-3-2-4-20(13-18)28(29,30)31)16-22(17)19-14-24(34-9-11-39-12-10-34)33-25(15-19)35-8-7-23(36)27(35)38/h2-6,13-16,23,36H,7-12H2,1H3,(H,32,37)/t23-/s2
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM88001
PNG
(US10245267, Example 1036 | US9694016, 1036)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C26H28F2N4O3/c1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32/h2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34)
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n/an/a 0.540n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM88124
PNG
(US10245267, Example 1160 | US9694016, 1160)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C25H26F2N4O4/c1-16-2-3-19(29-25(33)17-4-5-28-21(12-17)24(26)27)15-20(16)18-13-22(31-6-9-34-10-7-31)30-23(14-18)35-11-8-32/h2-5,12-15,24,32H,6-11H2,1H3,(H,29,33)
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n/an/a 0.550n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM88129
PNG
(US10245267, Example 1164 | US9694016, 1164)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C24H24F3N5O4/c1-15-2-3-18(29-23(34)17-10-20(24(25,26)27)31-28-14-17)13-19(15)16-11-21(32-4-7-35-8-5-32)30-22(12-16)36-9-6-33/h2-3,10-14,33H,4-9H2,1H3,(H,29,34)
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n/an/a 0.570n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM88031
PNG
(US10245267, Example 1066 | US9694016, 1066)
Show SMILES CC(O)C(=O)Nc1cc(cc(n1)N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1/C27H27F3N4O4/c1-16-6-7-21(31-26(37)18-4-3-5-20(12-18)27(28,29)30)15-22(16)19-13-23(33-25(36)17(2)35)32-24(14-19)34-8-10-38-11-9-34/h3-7,12-15,17,35H,8-11H2,1-2H3,(H,31,37)(H,32,33,36)
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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(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 0.590n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(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 0.600n/an/an/an/a7.525



Novartis AG

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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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM84308
PNG
(US10245267, Example 595 | US9694016, 595)
Show SMILES CC(C)Oc1nnc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)F)ccc1C
Show InChI InChI=1S/C27H32FN5O3/c1-17(2)36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)3)30-25(34)19-8-9-29-24(14-19)27(4,5)28/h6-9,14-17H,10-13H2,1-5H3,(H,30,34)
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n/an/a 0.600n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM202731
PNG
(US10245267, Example 77 | US9242969, 77 | US9694016...)
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)
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n/an/a 0.600n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM77480
PNG
(US10245267, Example 92 | US9694016, 92)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(cc(N)n1)N1CCOCC1
Show InChI InChI=1S/C24H23F3N4O2/c1-15-5-6-18(29-23(32)16-3-2-4-17(11-16)24(25,26)27)12-20(15)21-13-19(14-22(28)30-21)31-7-9-33-10-8-31/h2-6,11-14H,7-10H2,1H3,(H2,28,30)(H,29,32)
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n/an/a 0.600n/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)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
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