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Patent code US9617267

Compile Data Set for Download or QSAR

Found 761 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
bRAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM317013
PNG
(US9617267, Compound P-2001 | US9617267, Compound P...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
Show InChI InChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3
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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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(Homo sapiens (human))
BDBM317021
PNG
(US9617267, Compound P-2009 | US9617267, Compound P...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
Show InChI InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
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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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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))
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))
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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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))
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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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))
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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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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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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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))
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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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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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))
BDBM317010
PNG
(N-[2,4-Difluoro-3-(4- pyrrolidin-1-yl-7H- pyrrolo[...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C24H18F5N5O3S/c25-16-7-8-17(33-38(36,37)14-5-3-13(4-6-14)24(27,28)29)20(26)19(16)21(35)15-11-30-22-18(15)23(32-12-31-22)34-9-1-2-10-34/h3-8,11-12,33H,1-2,9-10H2,(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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM317010
PNG
(N-[2,4-Difluoro-3-(4- pyrrolidin-1-yl-7H- pyrrolo[...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C24H18F5N5O3S/c25-16-7-8-17(33-38(36,37)14-5-3-13(4-6-14)24(27,28)29)20(26)19(16)21(35)15-11-30-22-18(15)23(32-12-31-22)34-9-1-2-10-34/h3-8,11-12,33H,1-2,9-10H2,(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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(Homo sapiens (human))
BDBM317011
PNG
(N-{2,4-Difluoro-3-[4-(1- methyl-1H-pyrazol-4- ylam...)
Show SMILES Cn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1
Show InChI InChI=1S/C24H16F5N7O3S/c1-36-10-13(8-33-36)34-23-18-15(9-30-22(18)31-11-32-23)21(37)19-16(25)6-7-17(20(19)26)35-40(38,39)14-4-2-12(3-5-14)24(27,28)29/h2-11,35H,1H3,(H2,30,31,32,34)
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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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM317013
PNG
(US9617267, Compound P-2001 | US9617267, Compound P...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
Show InChI InChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3
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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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM317013
PNG
(US9617267, Compound P-2001 | US9617267, Compound P...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
Show InChI InChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3
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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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(Homo sapiens (human))
BDBM317021
PNG
(US9617267, Compound P-2009 | US9617267, Compound P...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
Show InChI InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
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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))
BDBM317021
PNG
(US9617267, Compound P-2009 | US9617267, Compound P...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
Show InChI InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
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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))
BDBM317021
PNG
(US9617267, Compound P-2009 | US9617267, Compound P...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
Show InChI InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
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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))
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))
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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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))
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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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))
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))
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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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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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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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
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM317001
PNG
(N-{3-[4-(Cyclopropylmethyl- amino)-7H-pyrrolo[2,3-...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NCC3CC3)c12
Show InChI InChI=1S/C24H18F5N5O3S/c25-16-7-8-17(34-38(36,37)14-5-3-13(4-6-14)24(27,28)29)20(26)19(16)21(35)15-10-31-23-18(15)22(32-11-33-23)30-9-12-1-2-12/h3-8,10-12,34H,1-2,9H2,(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))
BDBM317002
PNG
(N-[3-(4- Cyclopropylmethoxy-7H- pyrrolo[2,3-d]pyri...)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(OCC3CC3)c12
Show InChI InChI=1S/C24H17F5N4O4S/c25-16-7-8-17(33-38(35,36)14-5-3-13(4-6-14)24(27,28)29)20(26)19(16)21(34)15-9-30-22-18(15)23(32-11-31-22)37-10-12-1-2-12/h3-9,11-12,33H,1-2,10H2,(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))
BDBM317004
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
Show InChI InChI=1S/C25H25F2N5O3S/c1-4-5-15-6-8-16(9-7-15)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)31-14(2)3/h6-14,32H,4-5H2,1-3H3,(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
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