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Patent code US10167279

Compile Data Set for Download or QSAR

Found 409 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


(Homo sapiens (human))
BDBM313641
PNG
(N-(3-(2-(2- hydroxyethoxy)-6- (tetrahydro-2H-pyran...)
Show SMILES COc1cc(ncn1)C(=O)Nc1ccc(C)c(c1)-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C25H28N4O5/c1-16-3-4-19(28-25(31)22-14-23(32-2)27-15-26-22)13-20(16)18-11-21(17-5-8-33-9-6-17)29-24(12-18)34-10-7-30/h3-4,11-15,17,30H,5-10H2,1-2H3,(H,28,31)
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313647
PNG
((R)-N-(3-(2-(2,3- dihydroxypropoxy)-6- (tetrahydro...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)CF)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C28H30F3N3O5/c1-17-2-3-21(33-27(37)19-4-7-32-25(11-19)28(30,31)16-29)13-23(17)20-10-24(18-5-8-38-9-6-18)34-26(12-20)39-15-22(36)14-35/h2-4,7,10-13,18,22,35-36H,5-6,8-9,14-16H2,1H3,(H,33,37)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313464
PNG
(N-(5'-(3-fluorooxetan-3- yl)-6'-methoxy-2- methyl-...)
Show SMILES COc1ncc(cc1C1(F)COC1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)cnc1C
Show InChI InChI=1S/C22H18F4N4O3/c1-12-16(13-5-17(20(32-2)29-8-13)21(23)10-33-11-21)7-15(9-28-12)30-19(31)18-6-14(3-4-27-18)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,30,31)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313390
PNG
(N-(3-(2-(3- (difluoromethyl)oxetan- 3-yl)-6-(2- hy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1(COC1)C(F)F
Show InChI InChI=1S/C25H22F5N3O4/c1-14-2-3-17(32-22(35)15-4-5-31-20(8-15)25(28,29)30)11-18(14)16-9-19(24(23(26)27)12-36-13-24)33-21(10-16)37-7-6-34/h2-5,8-11,23,34H,6-7,12-13H2,1H3,(H,32,35)
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n/an/a 15.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313601
PNG
(2-(1,1-difluoroethyl)-N- (3-(6-ethoxy-5- (tetrahyd...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
Show InChI InChI=1S/C26H28F2N4O3/c1-4-35-25-21(17-8-11-34-12-9-17)15-22(31-32-25)20-14-19(6-5-16(20)2)30-24(33)18-7-10-29-23(13-18)26(3,27)28/h5-7,10,13-15,17H,4,8-9,11-12H2,1-3H3,(H,30,33)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313580
PNG
(N-(3-(2- (hydroxymethyl)-2- methyl-3-oxo-8- (tetra...)
Show SMILES Cc1ccc(NC(=O)c2cc(cnn2)C(F)(F)F)cc1-c1cc2NC(=O)C(C)(CO)Oc2c(c1)C1CCOCC1
Show InChI InChI=1S/C28H27F3N4O5/c1-15-3-4-19(33-25(37)23-11-18(13-32-35-23)28(29,30)31)12-20(15)17-9-21(16-5-7-39-8-6-16)24-22(10-17)34-26(38)27(2,14-36)40-24/h3-4,9-13,16,36H,5-8,14H2,1-2H3,(H,33,37)(H,34,38)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313645
PNG
(N-(3-(2-(2- hydroxyethoxy)-6- (tetrahydro-2H-pyran...)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-15-2-3-19(30-24(34)18-11-22(25(26,27)28)32-29-14-18)13-20(15)17-10-21(16-4-7-35-8-5-16)31-23(12-17)36-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,30,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313568
PNG
(N-(3-(2- (hydroxymethyl)- 2-methyl-3-oxo-5- (tetra...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1
Show InChI InChI=1S/C29H28F3N3O5/c1-16-3-4-20(34-26(37)23-13-19(5-8-33-23)29(30,31)32)14-21(16)18-11-22(17-6-9-39-10-7-17)25-24(12-18)40-28(2,15-36)27(38)35-25/h3-5,8,11-14,17,36H,6-7,9-10,15H2,1-2H3,(H,34,37)(H,35,38)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313632
PNG
(N-(3-(2-(2- hydroxyethoxy)-6- (tetrahydro-2H-pyran...)
Show SMILES Cc1ccc(NC(=O)c2cc(cnn2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-15-2-3-19(30-24(34)22-12-18(14-29-32-22)25(26,27)28)13-20(15)17-10-21(16-4-7-35-8-5-16)31-23(11-17)36-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,30,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313683
PNG
((S)-N-(3-(6-((1- hydroxypropan-2- yl)amino)-5-(tet...)
Show SMILES C[C@@H](CO)Nc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H28F3N5O3/c1-15-3-4-19(32-25(36)18-5-8-30-23(11-18)26(27,28)29)12-20(15)22-13-21(17-6-9-37-10-7-17)24(34-33-22)31-16(2)14-35/h3-5,8,11-13,16-17,35H,6-7,9-10,14H2,1-2H3,(H,31,34)(H,32,36)/t16-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313642
PNG
(N-(3-(2-(2- hydroxyethoxy)-6- (tetrahydro-2H-pyran...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)CF)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C27H28F3N3O4/c1-17-2-3-21(32-26(35)19-4-7-31-24(13-19)27(29,30)16-28)15-22(17)20-12-23(18-5-9-36-10-6-18)33-25(14-20)37-11-8-34/h2-4,7,12-15,18,34H,5-6,8-11,16H2,1H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313571
PNG
(N-(3-(2- (hydroxymethyl)- 2-methyl-3-oxo-5- (tetra...)
Show SMILES Cc1ccc(NC(=O)c2cc(cnn2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1
Show InChI InChI=1S/C28H27F3N4O5/c1-15-3-4-19(33-25(37)22-11-18(13-32-35-22)28(29,30)31)12-20(15)17-9-21(16-5-7-39-8-6-16)24-23(10-17)40-27(2,14-36)26(38)34-24/h3-4,9-13,16,36H,5-8,14H2,1-2H3,(H,33,37)(H,34,38)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313643
PNG
(2-(1,1-difluoroethyl)-N- (3-(2-(2- hydroxyethoxy)-...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C27H29F2N3O4/c1-17-3-4-21(31-26(34)19-5-8-30-24(14-19)27(2,28)29)16-22(17)20-13-23(18-6-10-35-11-7-18)32-25(15-20)36-12-9-33/h3-5,8,13-16,18,33H,6-7,9-12H2,1-2H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313648
PNG
((R)-N-(3-(2-(2,3- dihydroxypropoxy)-6- (tetrahydro...)
Show SMILES Cc1ccc(NC(=O)c2cc(cnn2)C(F)(F)F)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C26H27F3N4O5/c1-15-2-3-19(31-25(36)23-10-18(12-30-33-23)26(27,28)29)11-21(15)17-8-22(16-4-6-37-7-5-16)32-24(9-17)38-14-20(35)13-34/h2-3,8-12,16,20,34-35H,4-7,13-14H2,1H3,(H,31,36)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313608
PNG
(N-(3-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyrid...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2cc(ncn2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H24F3N5O3/c1-3-35-23-18(15-6-8-34-9-7-15)11-19(31-32-23)17-10-16(5-4-14(17)2)30-22(33)20-12-21(24(25,26)27)29-13-28-20/h4-5,10-13,15H,3,6-9H2,1-2H3,(H,30,33)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313635
PNG
(4-chloro-N-(3-(2-(2- hydroxyethoxy)-6- (tetrahydro...)
Show SMILES Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C25H26ClN3O4/c1-16-2-3-20(28-25(31)23-14-19(26)4-7-27-23)15-21(16)18-12-22(17-5-9-32-10-6-17)29-24(13-18)33-11-8-30/h2-4,7,12-15,17,30H,5-6,8-11H2,1H3,(H,28,31)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313532
PNG
(N-(3-(2-((2- hydroxyethyl)amino)-6- (3-methoxyoxet...)
Show SMILES COC1(COC1)c1cc(cc(NCCO)n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H26F3N3O4/c1-16-6-7-20(31-24(34)17-4-3-5-19(10-17)26(27,28)29)13-21(16)18-11-22(25(35-2)14-36-15-25)32-23(12-18)30-8-9-33/h3-7,10-13,33H,8-9,14-15H2,1-2H3,(H,30,32)(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313614
PNG
(N-(3-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyrid...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H25F3N4O3/c1-3-35-24-20(16-7-10-34-11-8-16)14-21(31-32-24)19-13-18(5-4-15(19)2)30-23(33)17-6-9-29-22(12-17)25(26,27)28/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,30,33)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313533
PNG
(N-(3-(2-((2- hydroxyethyl)amino)-6- (3-methoxyoxet...)
Show SMILES COC1(COC1)c1cc(cc(NCCO)n1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H25F3N4O4/c1-15-3-4-18(31-23(34)20-11-17(5-6-29-20)25(26,27)28)12-19(15)16-9-21(24(35-2)13-36-14-24)32-22(10-16)30-7-8-33/h3-6,9-12,33H,7-8,13-14H2,1-2H3,(H,30,32)(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313684
PNG
((R)-N-(3-(6-((1- hydroxypropan-2- yl)amino)-5-(tet...)
Show SMILES C[C@H](CO)Nc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H28F3N5O3/c1-15-3-4-19(32-25(36)18-5-8-30-23(11-18)26(27,28)29)12-20(15)22-13-21(17-6-9-37-10-7-17)24(34-33-22)31-16(2)14-35/h3-5,8,11-13,16-17,35H,6-7,9-10,14H2,1-2H3,(H,31,34)(H,32,36)/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313615
PNG
(N-(3-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyrid...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2cc(cnn2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H24F3N5O3/c1-3-35-23-19(15-6-8-34-9-7-15)12-20(31-32-23)18-11-17(5-4-14(18)2)29-22(33)21-10-16(13-28-30-21)24(25,26)27/h4-5,10-13,15H,3,6-9H2,1-2H3,(H,29,33)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313646
PNG
(N-(3-(2-(2- hydroxyethoxy)-6- (tetrahydro-2H-pyran...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C26H26F3N3O4/c1-16-2-3-20(31-25(34)23-14-19(4-7-30-23)26(27,28)29)15-21(16)18-12-22(17-5-9-35-10-6-17)32-24(13-18)36-11-8-33/h2-4,7,12-15,17,33H,5-6,8-11H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313655
PNG
((R)-N-(3-(2-(2,3- dihydroxypropoxy)-6- (tetrahydro...)
Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C27H28F3N3O5/c1-16-2-3-21(32-26(36)19-8-20(13-31-12-19)27(28,29)30)11-23(16)18-9-24(17-4-6-37-7-5-17)33-25(10-18)38-15-22(35)14-34/h2-3,8-13,17,22,34-35H,4-7,14-15H2,1H3,(H,32,36)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313652
PNG
((R)-4-chloro-N-(3-(2- (2,3- dihydroxypropoxy)-6- (...)
Show SMILES Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C26H28ClN3O5/c1-16-2-3-20(29-26(33)24-12-19(27)4-7-28-24)13-22(16)18-10-23(17-5-8-34-9-6-17)30-25(11-18)35-15-21(32)14-31/h2-4,7,10-13,17,21,31-32H,5-6,8-9,14-15H2,1H3,(H,29,33)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313685
PNG
((S)-N-(3-(6-((2- hydroxypropyl)amino)- 5-(tetrahyd...)
Show SMILES C[C@H](O)CNc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H28F3N5O3/c1-15-3-4-19(32-25(36)18-5-8-30-23(11-18)26(27,28)29)12-20(15)22-13-21(17-6-9-37-10-7-17)24(34-33-22)31-14-16(2)35/h3-5,8,11-13,16-17,35H,6-7,9-10,14H2,1-2H3,(H,31,34)(H,32,36)/t16-/m0/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (human))
BDBM313464
PNG
(N-(5'-(3-fluorooxetan-3- yl)-6'-methoxy-2- methyl-...)
Show SMILES COc1ncc(cc1C1(F)COC1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)cnc1C
Show InChI InChI=1S/C22H18F4N4O3/c1-12-16(13-5-17(20(32-2)29-8-13)21(23)10-33-11-21)7-15(9-28-12)30-19(31)18-6-14(3-4-27-18)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,30,31)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313650
PNG
((R)-N-(3-(2-(2,3- dihydroxypropoxy)-6- (tetrahydro...)
Show SMILES Cc1ccc(NC(=O)c2cc(ncn2)C(F)(F)F)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C26H27F3N4O5/c1-15-2-3-18(32-25(36)22-11-23(26(27,28)29)31-14-30-22)10-20(15)17-8-21(16-4-6-37-7-5-16)33-24(9-17)38-13-19(35)12-34/h2-3,8-11,14,16,19,34-35H,4-7,12-13H2,1H3,(H,32,36)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313688
PNG
(N-(3-(6-((1- ethylpiperidin-4- yl)oxy)-5-(tetrahyd...)
Show SMILES CCN1CCC(CC1)Oc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C30H34F3N5O3/c1-3-38-12-7-23(8-13-38)41-29-25(20-9-14-40-15-10-20)18-26(36-37-29)24-17-22(5-4-19(24)2)35-28(39)21-6-11-34-27(16-21)30(31,32)33/h4-6,11,16-18,20,23H,3,7-10,12-15H2,1-2H3,(H,35,39)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313604
PNG
(5-chloro-N-(3-(6- ethoxy-5-(tetrahydro- 2H-pyran-4...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2cc(c(Cl)cn2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H24ClF3N4O3/c1-3-36-24-18(15-6-8-35-9-7-15)11-21(32-33-24)17-10-16(5-4-14(17)2)31-23(34)22-12-19(25(27,28)29)20(26)13-30-22/h4-5,10-13,15H,3,6-9H2,1-2H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313613
PNG
(N-(3-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyrid...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)F)ccc1C
Show InChI InChI=1S/C27H31FN4O3/c1-5-35-26-22(18-9-12-34-13-10-18)16-23(31-32-26)21-15-20(7-6-17(21)2)30-25(33)19-8-11-29-24(14-19)27(3,4)28/h6-8,11,14-16,18H,5,9-10,12-13H2,1-4H3,(H,30,33)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313653
PNG
((R)-2-cyano-N-(3-(2-(2,3- dihydroxypropoxy)-6- (te...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C#N)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C27H28N4O5/c1-17-2-3-21(30-27(34)19-4-7-29-22(10-19)14-28)13-24(17)20-11-25(18-5-8-35-9-6-18)31-26(12-20)36-16-23(33)15-32/h2-4,7,10-13,18,23,32-33H,5-6,8-9,15-16H2,1H3,(H,30,34)/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313687
PNG
(N-(4-methyl-3-(5-tetrahydro-2H-pyran-4-yl-6-((tetr...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(C2CCOCC2)c(OC2CCOCC2)nn1
Show InChI InChI=1S/C28H29F3N4O4/c1-17-2-3-20(33-26(36)19-4-9-32-25(14-19)28(29,30)31)15-22(17)24-16-23(18-5-10-37-11-6-18)27(35-34-24)39-21-7-12-38-13-8-21/h2-4,9,14-16,18,21H,5-8,10-13H2,1H3,(H,33,36)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313654
PNG
((R)-2-chloro-N-(3-(2- (2,3- dihydroxypropoxy)-6- (...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C26H28ClN3O5/c1-16-2-3-20(29-26(33)18-4-7-28-24(27)11-18)13-22(16)19-10-23(17-5-8-34-9-6-17)30-25(12-19)35-15-21(32)14-31/h2-4,7,10-13,17,21,31-32H,5-6,8-9,14-15H2,1H3,(H,29,33)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313568
PNG
(N-(3-(2- (hydroxymethyl)- 2-methyl-3-oxo-5- (tetra...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1
Show InChI InChI=1S/C29H28F3N3O5/c1-16-3-4-20(34-26(37)23-13-19(5-8-33-23)29(30,31)32)14-21(16)18-11-22(17-6-9-39-10-7-17)25-24(12-18)40-28(2,15-36)27(38)35-25/h3-5,8,11-14,17,36H,6-7,9-10,15H2,1-2H3,(H,34,37)(H,35,38)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313657
PNG
((R)-N-(3-(2-(2,3- dihydroxypropoxy)-6- (tetrahydro...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc(OC[C@H](O)CO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C27H28F3N3O5/c1-16-2-3-20(32-26(36)24-12-19(4-7-31-24)27(28,29)30)13-22(16)18-10-23(17-5-8-37-9-6-17)33-25(11-18)38-15-21(35)14-34/h2-4,7,10-13,17,21,34-35H,5-6,8-9,14-15H2,1H3,(H,32,36)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313387
PNG
(2-(difluoromethyl)-N- (3-(2-(3- (fluoromethyl)oxet...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)F)cc1-c1cc(OCCO)nc(c1)C1(CF)COC1
Show InChI InChI=1S/C25H24F3N3O4/c1-15-2-3-18(30-24(33)16-4-5-29-20(8-16)23(27)28)11-19(15)17-9-21(25(12-26)13-34-14-25)31-22(10-17)35-7-6-32/h2-5,8-11,23,32H,6-7,12-14H2,1H3,(H,30,33)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313400
PNG
(N-(3-(6-ethoxy-5-(3- methyloxetan-3- yl)pyridin-3-...)
Show SMILES CCOc1ncc(cc1C1(C)COC1)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H23F3N4O3/c1-4-34-22-19(23(3)12-33-13-23)7-15(10-28-22)18-9-17(6-5-14(18)2)30-21(32)16-8-20(24(25,26)27)31-29-11-16/h5-11H,4,12-13H2,1-3H3,(H,30,32)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313588
PNG
(N-(3-(2-(4- (fluoromethyl)tetrahydro- 2H-pyran-4-y...)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1(CF)CCOCC1
Show InChI InChI=1S/C26H26F4N4O4/c1-16-2-3-19(32-24(36)18-11-22(26(28,29)30)34-31-14-18)13-20(16)17-10-21(33-23(12-17)38-9-6-35)25(15-27)4-7-37-8-5-25/h2-3,10-14,35H,4-9,15H2,1H3,(H,32,36)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313634
PNG
(N-(3-(2-(2- hydroxyethoxy)-6- (tetrahydro-2H-pyran...)
Show SMILES Cc1ccc(NC(=O)c2cc(ncn2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-15-2-3-18(31-24(34)21-13-22(25(26,27)28)30-14-29-21)12-19(15)17-10-20(16-4-7-35-8-5-16)32-23(11-17)36-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313531
PNG
(N-(2'-((2- hydroxyethyl)amino)-6'- (3-methoxyoxeta...)
Show SMILES COC1(COC1)c1cc(cc(NCCO)n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
Show InChI InChI=1S/C25H25F3N4O4/c1-15-20(17-9-21(24(35-2)13-36-14-24)32-22(10-17)29-6-7-33)11-19(12-30-15)31-23(34)16-4-3-5-18(8-16)25(26,27)28/h3-5,8-12,33H,6-7,13-14H2,1-2H3,(H,29,32)(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313681
PNG
(N-(3-(6-((2-methoxyethyl)amino)-5-(tetrahydro-2H-p...)
Show SMILES COCCNc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H28F3N5O3/c1-16-3-4-19(32-25(35)18-5-8-30-23(13-18)26(27,28)29)14-20(16)22-15-21(17-6-10-37-11-7-17)24(34-33-22)31-9-12-36-2/h3-5,8,13-15,17H,6-7,9-12H2,1-2H3,(H,31,34)(H,32,35)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313610
PNG
(N-(5-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyrid...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
Show InChI InChI=1S/C25H25F3N4O3/c1-3-35-24-21(16-7-9-34-10-8-16)13-22(31-32-24)20-12-19(14-29-15(20)2)30-23(33)17-5-4-6-18(11-17)25(26,27)28/h4-6,11-14,16H,3,7-10H2,1-2H3,(H,30,33)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313484
PNG
(2-(1,1-difluoroethyl)-N- (3-(5-(3- (fluoromethyl)o...)
Show SMILES COc1ncc(cc1C1(CF)COC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
Show InChI InChI=1S/C25H24F3N3O3/c1-15-4-5-18(31-22(32)16-6-7-29-21(9-16)24(2,27)28)10-19(15)17-8-20(23(33-3)30-11-17)25(12-26)13-34-14-25/h4-11H,12-14H2,1-3H3,(H,31,32)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313512
PNG
(N-(2'-(3- (fluoromethyl)oxetan-3- yl)-6'-(2- hydro...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1(CF)COC1
Show InChI InChI=1S/C25H23F4N3O4/c1-15-20(17-8-21(24(12-26)13-35-14-24)32-22(9-17)36-6-5-33)10-19(11-30-15)31-23(34)16-3-2-4-18(7-16)25(27,28)29/h2-4,7-11,33H,5-6,12-14H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313644
PNG
(2-(2-cyanopropan-2-yl)- N-(3-(2-(2- hydroxyethoxy)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(OCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C29H32N4O4/c1-19-4-5-23(32-28(35)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-11-36-12-8-20)33-27(16-22)37-13-10-34/h4-6,9,14-17,20,34H,7-8,10-13H2,1-3H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313695
PNG
(N-(3-(2-(4-amino-4-methylpiperidin-1-yl)-6-(tetrah...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(nc(c1)N1CCC(C)(CC1)NC(=O)OC(C)(C)C)C1CCOCC1
Show InChI InChI=1S/C35H42F3N5O4/c1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4/h6-8,13,18-21,23H,9-12,14-17H2,1-5H3,(H,40,44)(H,42,45)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313486
PNG
(N-(3-(5-(3- (fluoromethyl)oxetan-3- yl)-6-methoxyp...)
Show SMILES COc1ncc(cc1C1(CF)COC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H21F4N3O3/c1-14-3-4-17(31-21(32)15-5-6-29-20(8-15)24(26,27)28)9-18(14)16-7-19(22(33-2)30-10-16)23(11-25)12-34-13-23/h3-10H,11-13H2,1-2H3,(H,31,32)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313617
PNG
(N-(3-(2-(hydroxymethyl)- 2-methyl-3-oxo-5- (tetrah...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1
Show InChI InChI=1S/C29H28F3N3O5/c1-16-3-4-20(34-26(37)18-5-8-33-24(13-18)29(30,31)32)14-21(16)19-11-22(17-6-9-39-10-7-17)25-23(12-19)40-28(2,15-36)27(38)35-25/h3-5,8,11-14,17,36H,6-7,9-10,15H2,1-2H3,(H,34,37)(H,35,38)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313616
PNG
(N-(3-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyrid...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2cnc(N3CCN(CC)CC3)c(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C31H37F3N6O3/c1-4-39-10-12-40(13-11-39)28-26(31(32,33)34)16-22(19-35-28)29(41)36-23-7-6-20(3)24(17-23)27-18-25(21-8-14-42-15-9-21)30(38-37-27)43-5-2/h6-7,16-19,21H,4-5,8-15H2,1-3H3,(H,36,41)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM313689
PNG
(N-(3-(6-(2- methoxyethoxy)-5- (tetrahydro-2H-pyran...)
Show SMILES COCCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H27F3N4O4/c1-16-3-4-19(31-24(34)18-5-8-30-23(13-18)26(27,28)29)14-20(16)22-15-21(17-6-9-36-10-7-17)25(33-32-22)37-12-11-35-2/h3-5,8,13-15,17H,6-7,9-12H2,1-2H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%