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Compile Data Set for Download or QSAR

Found 80 hits of Enz. Inhib. data with enzyme = 'bRAF serine/threonine protein kinase' and Substrate = 'to-be-curated'   
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
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316950
PNG
(N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C21H13F5N4O3S/c1-10-16-13(8-27-20(16)29-9-28-10)19(31)17-14(22)6-7-15(18(17)23)30-34(32,33)12-4-2-11(3-5-12)21(24,25)26/h2-9,30H,1H3,(H,27,28,29)
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n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316951
PNG
(Propane-1-sulfonic acid [3- (4-ethoxy-7H-pyrrolo[2...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(COC)c23)c1F
Show InChI InChI=1S/C18H18F2N4O4S/c1-3-6-29(26,27)24-12-5-4-11(19)15(16(12)20)17(25)10-7-21-18-14(10)13(8-28-2)22-9-23-18/h4-5,7,9,24H,3,6,8H2,1-2H3,(H,21,22,23)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316952
PNG
(2-Methyl-propane-1-sulfonic acid [2,4-difluoro-3-(...)
Show SMILES CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
Show InChI InChI=1S/C18H18F2N4O3S/c1-9(2)7-28(26,27)24-13-5-4-12(19)15(16(13)20)17(25)11-6-21-18-14(11)10(3)22-8-23-18/h4-6,8-9,24H,7H2,1-3H3,(H,21,22,23)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316953
PNG
(2-Methyl-propane-1-sulfonic acid [2,4-difluoro-3-(...)
Show SMILES COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)CC(C)C)c3F)c12
Show InChI InChI=1S/C18H18F2N4O4S/c1-9(2)7-29(26,27)24-12-5-4-11(19)14(15(12)20)16(25)10-6-21-17-13(10)18(28-3)23-8-22-17/h4-6,8-9,24H,7H2,1-3H3,(H,21,22,23)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316954
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
Show InChI InChI=1S/C23H20F2N4O4S/c1-3-4-13-5-7-14(8-6-13)34(31,32)29-17-10-9-16(24)19(20(17)25)21(30)15-11-26-22-18(15)23(33-2)28-12-27-22/h5-12,29H,3-4H2,1-2H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316955
PNG
(N-[3-(4-Ethoxy-7H- pyrrolo[2,3-d]pyrimidine-5- car...)
Show SMILES CCOc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C22H15F5N4O4S/c1-2-35-21-16-13(9-28-20(16)29-10-30-21)19(32)17-14(23)7-8-15(18(17)24)31-36(33,34)12-5-3-11(4-6-12)22(25,26)27/h3-10,31H,2H2,1H3,(H,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316956
PNG
(N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
Show InChI InChI=1S/C23H20F2N4O3S/c1-3-4-14-5-7-15(8-6-14)33(31,32)29-18-10-9-17(24)20(21(18)25)22(30)16-11-26-23-19(16)13(2)27-12-28-23/h5-12,29H,3-4H2,1-2H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316957
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
Show InChI InChI=1S/C22H18F2N4O4S/c1-3-12-4-6-13(7-5-12)33(30,31)28-16-9-8-15(23)18(19(16)24)20(29)14-10-25-21-17(14)22(32-2)27-11-26-21/h4-11,28H,3H2,1-2H3,(H,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316958
PNG
(N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316959
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(C)C)c3F)c12
Show InChI InChI=1S/C23H20F2N4O4S/c1-12(2)13-4-6-14(7-5-13)34(31,32)29-17-9-8-16(24)19(20(17)25)21(30)15-10-26-22-18(15)23(33-3)28-11-27-22/h4-12,29H,1-3H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316960
PNG
(N-[3-(4-Cyclopropylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CC3)c12
Show InChI InChI=1S/C23H16F5N5O3S/c24-15-7-8-16(33-37(35,36)13-5-1-11(2-6-13)23(26,27)28)19(25)18(15)20(34)14-9-29-21-17(14)22(31-10-30-21)32-12-3-4-12/h1-2,5-10,12,33H,3-4H2,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316961
PNG
(N-[2,4-Difluoro-3-(4- hydroxy-7H-pyrrolo[2,3- d]py...)
Show SMILES Oc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C20H11F5N4O4S/c21-12-5-6-13(29-34(32,33)10-3-1-9(2-4-10)20(23,24)25)16(22)15(12)17(30)11-7-26-18-14(11)19(31)28-8-27-18/h1-8,29H,(H2,26,27,28,31)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316962
PNG
(N-{2,4-Difluoro-3-[4- (tetrahydro-pyran-4- ylamino...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCOCC3)c12
Show InChI InChI=1S/C25H20F5N5O4S/c26-17-5-6-18(35-40(37,38)15-3-1-13(2-4-15)25(28,29)30)21(27)20(17)22(36)16-11-31-23-19(16)24(33-12-32-23)34-14-7-9-39-10-8-14/h1-6,11-12,14,35H,7-10H2,(H2,31,32,33,34)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316963
PNG
(Propane-1-sulfonic acid [2,4- difluoro-3-(4-isobut...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(CC(C)C)c23)c1F
Show InChI InChI=1S/C20H22F2N4O3S/c1-4-7-30(28,29)26-14-6-5-13(21)17(18(14)22)19(27)12-9-23-20-16(12)15(8-11(2)3)24-10-25-20/h5-6,9-11,26H,4,7-8H2,1-3H3,(H,23,24,25)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316964
PNG
(N-[2,4-Difluoro-3-(4- isobutyl-7H-pyrrolo[2,3- d]p...)
Show SMILES CC(C)Cc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C24H19F5N4O3S/c1-12(2)9-18-19-15(10-30-23(19)32-11-31-18)22(34)20-16(25)7-8-17(21(20)26)33-37(35,36)14-5-3-13(4-6-14)24(27,28)29/h3-8,10-12,33H,9H2,1-2H3,(H,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316965
PNG
(N-[3-(4-Chloro-7H- pyrrolo[2,3-d]pyrimidine-5- car...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Cl)c12
Show InChI InChI=1S/C20H10ClF5N4O3S/c21-18-14-11(7-27-19(14)29-8-28-18)17(31)15-12(22)5-6-13(16(15)23)30-34(32,33)10-3-1-9(2-4-10)20(24,25)26/h1-8,30H,(H,27,28,29)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316966
PNG
(N-[2,4-Difluoro-3-(4- morpholin-4-yl-7H- pyrrolo[2...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C24H18F5N5O4S/c25-16-5-6-17(33-39(36,37)14-3-1-13(2-4-14)24(27,28)29)20(26)19(16)21(35)15-11-30-22-18(15)23(32-12-31-22)34-7-9-38-10-8-34/h1-6,11-12,33H,7-10H2,(H,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316967
PNG
(6-Methoxy-pyridine-3- sulfonic acid [2,4-difluoro-...)
Show SMILES COc1ccc(cn1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
Show InChI InChI=1S/C20H15F2N5O5S/c1-31-14-6-3-10(7-23-14)33(29,30)27-13-5-4-12(21)16(17(13)22)18(28)11-8-24-19-15(11)20(32-2)26-9-25-19/h3-9,27H,1-2H3,(H,24,25,26)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316968
PNG
(N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
Show InChI InChI=1S/C22H18F2N4O3S/c1-3-13-4-6-14(7-5-13)32(30,31)28-17-9-8-16(23)19(20(17)24)21(29)15-10-25-22-18(15)12(2)26-11-27-22/h4-11,28H,3H2,1-2H3,(H,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316969
PNG
(N-[2,4-Difluoro-3-(4- isobutylamino-7H- pyrrolo[2,...)
Show SMILES CC(C)CNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C24H20F5N5O3S/c1-12(2)9-30-22-18-15(10-31-23(18)33-11-32-22)21(35)19-16(25)7-8-17(20(19)26)34-38(36,37)14-5-3-13(4-6-14)24(27,28)29/h3-8,10-12,34H,9H2,1-2H3,(H2,30,31,32,33)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316970
PNG
(N-{2,4-Difluoro-3-[4- (tetrahydro-pyran-4-yloxy)- ...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(OC3CCOCC3)c12
Show InChI InChI=1S/C25H19F5N4O5S/c26-17-5-6-18(34-40(36,37)15-3-1-13(2-4-15)25(28,29)30)21(27)20(17)22(35)16-11-31-23-19(16)24(33-12-32-23)39-14-7-9-38-10-8-14/h1-6,11-12,14,34H,7-10H2,(H,31,32,33)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316971
PNG
(Propane-1-sulfonic acid [2,4- difluoro-3-(4-hydrox...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F
Show InChI InChI=1S/C16H14F2N4O4S/c1-2-5-27(25,26)22-10-4-3-9(17)12(13(10)18)14(23)8-6-19-15-11(8)16(24)21-7-20-15/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20,21,24)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316972
PNG
(N-[3-(4-Cyano-7H- pyrrolo[2,3-d]pyrimidine-5- carb...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(C#N)c12
Show InChI InChI=1S/C21H10F5N5O3S/c22-13-5-6-14(31-35(33,34)11-3-1-10(2-4-11)21(24,25)26)18(23)17(13)19(32)12-8-28-20-16(12)15(7-27)29-9-30-20/h1-6,8-9,31H,(H,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316973
PNG
(N-[3-(4-Ethylamino-7H- pyrrolo[2,3-d]pyrimidine-5-...)
Show SMILES CCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C22H16F5N5O3S/c1-2-28-20-16-13(9-29-21(16)31-10-30-20)19(33)17-14(23)7-8-15(18(17)24)32-36(34,35)12-5-3-11(4-6-12)22(25,26)27/h3-10,32H,2H2,1H3,(H2,28,29,30,31)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316974
PNG
(N-[2,4-Difluoro-3-(4- methoxy-7H-pyrrolo[2,3- d]py...)
Show SMILES COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c3F)c12
Show InChI InChI=1S/C22H18F2N4O4S/c1-11-6-12(2)8-13(7-11)33(30,31)28-16-5-4-15(23)18(19(16)24)20(29)14-9-25-21-17(14)22(32-3)27-10-26-21/h4-10,28H,1-3H3,(H,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316975
PNG
(N-[2,4-Difluoro-3-(4- methylamino-7H-pyrrolo[2,3- ...)
Show SMILES CNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C21H14F5N5O3S/c1-27-19-15-12(8-28-20(15)30-9-29-19)18(32)16-13(22)6-7-14(17(16)23)31-35(33,34)11-4-2-10(3-5-11)21(24,25)26/h2-9,31H,1H3,(H2,27,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316976
PNG
(N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
Show InChI InChI=1S/C22H18F2N4O3S/c1-11-6-12(2)8-14(7-11)32(30,31)28-17-5-4-16(23)19(20(17)24)21(29)15-9-25-22-18(15)13(3)26-10-27-22/h4-10,28H,1-3H3,(H,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316977
PNG
(N-[2,4-Difluoro-3-(4- isobutoxy-7H-pyrrolo[2,3- d]...)
Show SMILES CC(C)COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C24H19F5N4O4S/c1-12(2)10-37-23-18-15(9-30-22(18)31-11-32-23)21(34)19-16(25)7-8-17(20(19)26)33-38(35,36)14-5-3-13(4-6-14)24(27,28)29/h3-9,11-12,33H,10H2,1-2H3,(H,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316978
PNG
(N-[2,4-Difluoro-3-(4- isopropyl-7H-pyrrolo[2,3- d]...)
Show SMILES CC(C)c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C23H17F5N4O3S/c1-11(2)20-17-14(9-29-22(17)31-10-30-20)21(33)18-15(24)7-8-16(19(18)25)32-36(34,35)13-5-3-12(4-6-13)23(26,27)28/h3-11,32H,1-2H3,(H,29,30,31)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316979
PNG
(N-[2,4-Difluoro-3-(4- hydroxy-7H-pyrrolo[2,3- d]py...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F
Show InChI InChI=1S/C22H18F2N4O4S/c1-2-3-12-4-6-13(7-5-12)33(31,32)28-16-9-8-15(23)18(19(16)24)20(29)14-10-25-21-17(14)22(30)27-11-26-21/h4-11,28H,2-3H2,1H3,(H2,25,26,27,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316980
PNG
(N-[3-(4-Amino-7H- pyrrolo[2,3-d]pyrimidine-5- carb...)
Show SMILES Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C20H12F5N5O3S/c21-12-5-6-13(30-34(32,33)10-3-1-9(2-4-10)20(23,24)25)16(22)15(12)17(31)11-7-27-19-14(11)18(26)28-8-29-19/h1-8,30H,(H3,26,27,28,29)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316981
PNG
(N-[2,4-Difluoro-3-(4- propylamino-7H-pyrrolo[2,3- ...)
Show SMILES CCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C23H18F5N5O3S/c1-2-9-29-21-17-14(10-30-22(17)32-11-31-21)20(34)18-15(24)7-8-16(19(18)25)33-37(35,36)13-5-3-12(4-6-13)23(26,27)28/h3-8,10-11,33H,2,9H2,1H3,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316982
PNG
(Propane-1-sulfonic acid [3- (4-chloro-7H-pyrrolo[2...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
Show InChI InChI=1S/C16H13ClF2N4O3S/c1-2-5-27(25,26)23-10-4-3-9(18)12(13(10)19)14(24)8-6-20-16-11(8)15(17)21-7-22-16/h3-4,6-7,23H,2,5H2,1H3,(H,20,21,22)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316983
PNG
(N-[3-(4-Chloro-7H- pyrrolo[2,3-d]pyrimidine-5- car...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
Show InChI InChI=1S/C22H17ClF2N4O3S/c1-2-3-12-4-6-13(7-5-12)33(31,32)29-16-9-8-15(24)18(19(16)25)20(30)14-10-26-22-17(14)21(23)27-11-28-22/h4-11,29H,2-3H2,1H3,(H,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316984
PNG
(N-[3-(4-Cyclopentylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCCC3)c12
Show InChI InChI=1S/C25H20F5N5O3S/c26-17-9-10-18(35-39(37,38)15-7-5-13(6-8-15)25(28,29)30)21(27)20(17)22(36)16-11-31-23-19(16)24(33-12-32-23)34-14-3-1-2-4-14/h5-12,14,35H,1-4H2,(H2,31,32,33,34)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316985
PNG
(N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...)
Show SMILES COc1ccc(cc1F)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
Show InChI InChI=1S/C21H15F3N4O4S/c1-10-17-12(8-25-21(17)27-9-26-10)20(29)18-13(22)4-5-15(19(18)24)28-33(30,31)11-3-6-16(32-2)14(23)7-11/h3-9,28H,1-2H3,(H,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316986
PNG
(N-[2,4-Difluoro-3-(4- phenylamino-7H-pyrrolo[2,3- ...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Nc3ccccc3)c12
Show InChI InChI=1S/C26H16F5N5O3S/c27-18-10-11-19(36-40(38,39)16-8-6-14(7-9-16)26(29,30)31)22(28)21(18)23(37)17-12-32-24-20(17)25(34-13-33-24)35-15-4-2-1-3-5-15/h1-13,36H,(H2,32,33,34,35)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316987
PNG
(N-[3-(4-Ethoxy-7H- pyrrolo[2,3-d]pyrimidine-5- car...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OCC)c23)c1F
Show InChI InChI=1S/C24H22F2N4O4S/c1-3-5-14-6-8-15(9-7-14)35(32,33)30-18-11-10-17(25)20(21(18)26)22(31)16-12-27-23-19(16)24(34-4-2)29-13-28-23/h6-13,30H,3-5H2,1-2H3,(H,27,28,29)
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n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316988
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C23H18F5N5O3S/c1-11(2)32-22-17-14(9-29-21(17)30-10-31-22)20(34)18-15(24)7-8-16(19(18)25)33-37(35,36)13-5-3-12(4-6-13)23(26,27)28/h3-11,33H,1-2H3,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316989
PNG
(N-[3-(4-Cyclopropylamino- 7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Show InChI InChI=1S/C25H23F2N5O3S/c1-2-3-14-4-8-16(9-5-14)36(34,35)32-19-11-10-18(26)21(22(19)27)23(33)17-12-28-24-20(17)25(30-13-29-24)31-15-6-7-15/h4-5,8-13,15,32H,2-3,6-7H2,1H3,(H2,28,29,30,31)
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n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316990
PNG
(Propane-1-sulfonic acid [3- (4-cyclopropylamino-7H...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Show InChI InChI=1S/C19H19F2N5O3S/c1-2-7-30(28,29)26-13-6-5-12(20)15(16(13)21)17(27)11-8-22-18-14(11)19(24-9-23-18)25-10-3-4-10/h5-6,8-10,26H,2-4,7H2,1H3,(H2,22,23,24,25)
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n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316991
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
Show InChI InChI=1S/C24H23F2N5O3S/c1-4-14-5-7-15(8-6-14)35(33,34)31-18-10-9-17(25)20(21(18)26)22(32)16-11-27-23-19(16)24(29-12-28-23)30-13(2)3/h5-13,31H,4H2,1-3H3,(H2,27,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316992
PNG
(N-{2,4-Difluoro-3-[4-(2- hydroxy-ethylamino)-7H- p...)
Show SMILES OCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C22H16F5N5O4S/c23-14-5-6-15(32-37(35,36)12-3-1-11(2-4-12)22(25,26)27)18(24)17(14)19(34)13-9-29-21-16(13)20(28-7-8-33)30-10-31-21/h1-6,9-10,32-33H,7-8H2,(H2,28,29,30,31)
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n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316993
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(C)C)c3F)c12
Show InChI InChI=1S/C25H25F2N5O3S/c1-13(2)15-5-7-16(8-6-15)36(34,35)32-19-10-9-18(26)21(22(19)27)23(33)17-11-28-24-20(17)25(30-12-29-24)31-14(3)4/h5-14,32H,1-4H3,(H2,28,29,30,31)
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n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316994
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c3F)c12
Show InChI InChI=1S/C24H23F2N5O3S/c1-12(2)30-24-19-16(10-27-23(19)28-11-29-24)22(32)20-17(25)5-6-18(21(20)26)31-35(33,34)15-8-13(3)7-14(4)9-15/h5-12,31H,1-4H3,(H2,27,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316995
PNG
(N-[2,4-Difluoro-3-[4- (tetrahydro-pyran-4- ylamino...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCOCC4)c23)c1F
Show InChI InChI=1S/C27H27F2N5O4S/c1-2-3-16-4-6-18(7-5-16)39(36,37)34-21-9-8-20(28)23(24(21)29)25(35)19-14-30-26-22(19)27(32-15-31-26)33-17-10-12-38-13-11-17/h4-9,14-15,17,34H,2-3,10-13H2,1H3,(H2,30,31,32,33)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316996
PNG
(Propane-1-sulfonic acid {2,4- difluoro-3-[4-(tetra...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCOCC4)c23)c1F
Show InChI InChI=1S/C21H23F2N5O4S/c1-2-9-33(30,31)28-15-4-3-14(22)17(18(15)23)19(29)13-10-24-20-16(13)21(26-11-25-20)27-12-5-7-32-8-6-12/h3-4,10-12,28H,2,5-9H2,1H3,(H2,24,25,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316997
PNG
(Propane-1-sulfonic acid [2,4- difluoro-3-(4-phenyl...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccccc4)c23)c1F
Show InChI InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)29-16-9-8-15(23)18(19(16)24)20(30)14-11-25-21-17(14)22(27-12-26-21)28-13-6-4-3-5-7-13/h3-9,11-12,29H,2,10H2,1H3,(H2,25,26,27,28)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316998
PNG
(N-[3-(4-Dimethylamino-7H- pyrrolo[2,3-d]pyrimidine...)
Show SMILES CN(C)c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Show InChI InChI=1S/C22H16F5N5O3S/c1-32(2)21-16-13(9-28-20(16)29-10-30-21)19(33)17-14(23)7-8-15(18(17)24)31-36(34,35)12-5-3-11(4-6-12)22(25,26)27/h3-10,31H,1-2H3,(H,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM316999
PNG
(N-{2,4-Difluoro-3-[4- (oxetan-3-ylamino)-7H- pyrro...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3COC3)c12
Show InChI InChI=1S/C23H16F5N5O4S/c24-15-5-6-16(33-38(35,36)13-3-1-11(2-4-13)23(26,27)28)19(25)18(15)20(34)14-7-29-21-17(14)22(31-10-30-21)32-12-8-37-9-12/h1-7,10,12,33H,8-9H2,(H2,29,30,31,32)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
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