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Compile Data Set for Download or QSAR

Found 1155 hits Enz. Inhib. hit(s) with all data for entry = 1637   
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))
BDBM333637
PNG
(1-(4-chloro- 3- (trifluoromethyl) phenyl)- 3-(3-(6...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H18ClF3N4O3S/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-18(25)17(9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)
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n/an/an/a>1.00E+3n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333638
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C23H22FN5O4S/c1-23(2,24)19-11-20(33-29-19)28-22(30)27-13-6-5-7-14(8-13)34-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,30)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333638
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C23H22FN5O4S/c1-23(2,24)19-11-20(33-29-19)28-22(30)27-13-6-5-7-14(8-13)34-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,30)
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n/an/an/a 375n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333638
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C23H22FN5O4S/c1-23(2,24)19-11-20(33-29-19)28-22(30)27-13-6-5-7-14(8-13)34-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,30)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333639
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(F)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H18F4N4O3S/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-17(18(25)9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)
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n/an/an/a 375n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333639
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(F)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H18F4N4O3S/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-17(18(25)9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)
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n/an/an/a>1.00E+3n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333639
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(F)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H18F4N4O3S/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-17(18(25)9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333640
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C29H28F3N5O4S/c1-39-25-14-23-24(15-26(25)40-2)33-17-34-27(23)42-22-5-3-4-20(13-22)35-28(38)36-21-11-18(10-19(12-21)29(30,31)32)16-37-6-8-41-9-7-37/h3-5,10-15,17H,6-9,16H2,1-2H3,(H2,35,36,38)
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n/an/an/a 375n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333640
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C29H28F3N5O4S/c1-39-25-14-23-24(15-26(25)40-2)33-17-34-27(23)42-22-5-3-4-20(13-22)35-28(38)36-21-11-18(10-19(12-21)29(30,31)32)16-37-6-8-41-9-7-37/h3-5,10-15,17H,6-9,16H2,1-2H3,(H2,35,36,38)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333640
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C29H28F3N5O4S/c1-39-25-14-23-24(15-26(25)40-2)33-17-34-27(23)42-22-5-3-4-20(13-22)35-28(38)36-21-11-18(10-19(12-21)29(30,31)32)16-37-6-8-41-9-7-37/h3-5,10-15,17H,6-9,16H2,1-2H3,(H2,35,36,38)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333641
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(OC)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C25H21F3N4O4S/c1-34-20-10-15(7-8-18(20)25(26,27)28)32-24(33)31-14-5-4-6-16(9-14)37-23-17-11-21(35-2)22(36-3)12-19(17)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)
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n/an/an/a 750n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333641
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(OC)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C25H21F3N4O4S/c1-34-20-10-15(7-8-18(20)25(26,27)28)32-24(33)31-14-5-4-6-16(9-14)37-23-17-11-21(35-2)22(36-3)12-19(17)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333641
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(OC)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C25H21F3N4O4S/c1-34-20-10-15(7-8-18(20)25(26,27)28)32-24(33)31-14-5-4-6-16(9-14)37-23-17-11-21(35-2)22(36-3)12-19(17)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333642
PNG
(1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazo...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333642
PNG
(1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazo...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333642
PNG
(1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazo...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333643
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333643
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333643
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333644
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H19F3N6O3S/c1-31-19(10-18(30-31)22(23,24)25)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11H,1-3H3,(H2,28,29,32)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333644
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H19F3N6O3S/c1-31-19(10-18(30-31)22(23,24)25)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11H,1-3H3,(H2,28,29,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333644
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H19F3N6O3S/c1-31-19(10-18(30-31)22(23,24)25)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11H,1-3H3,(H2,28,29,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333645
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333645
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333645
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333646
PNG
(US9730937, Example 195 | ethyl 2-(3- tert-butyl-5-...)
Show SMILES CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C
Show InChI InChI=1S/C28H32N6O5S/c1-7-39-25(35)15-34-24(14-23(33-34)28(2,3)4)32-27(36)31-17-9-8-10-18(11-17)40-26-19-12-21(37-5)22(38-6)13-20(19)29-16-30-26/h8-14,16H,7,15H2,1-6H3,(H2,31,32,36)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333646
PNG
(US9730937, Example 195 | ethyl 2-(3- tert-butyl-5-...)
Show SMILES CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C
Show InChI InChI=1S/C28H32N6O5S/c1-7-39-25(35)15-34-24(14-23(33-34)28(2,3)4)32-27(36)31-17-9-8-10-18(11-17)40-26-19-12-21(37-5)22(38-6)13-20(19)29-16-30-26/h8-14,16H,7,15H2,1-6H3,(H2,31,32,36)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333646
PNG
(US9730937, Example 195 | ethyl 2-(3- tert-butyl-5-...)
Show SMILES CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C
Show InChI InChI=1S/C28H32N6O5S/c1-7-39-25(35)15-34-24(14-23(33-34)28(2,3)4)32-27(36)31-17-9-8-10-18(11-17)40-26-19-12-21(37-5)22(38-6)13-20(19)29-16-30-26/h8-14,16H,7,15H2,1-6H3,(H2,31,32,36)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333647
PNG
(1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333647
PNG
(1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333647
PNG
(1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)
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US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333648
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES CCCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C32H34N6O4S/c1-6-15-42-32(2,3)28-19-29(38(37-28)22-12-8-7-9-13-22)36-31(39)35-21-11-10-14-23(16-21)43-30-24-17-26(40-4)27(41-5)18-25(24)33-20-34-30/h7-14,16-20H,6,15H2,1-5H3,(H2,35,36,39)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333648
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES CCCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C32H34N6O4S/c1-6-15-42-32(2,3)28-19-29(38(37-28)22-12-8-7-9-13-22)36-31(39)35-21-11-10-14-23(16-21)43-30-24-17-26(40-4)27(41-5)18-25(24)33-20-34-30/h7-14,16-20H,6,15H2,1-5H3,(H2,35,36,39)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333648
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES CCCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C32H34N6O4S/c1-6-15-42-32(2,3)28-19-29(38(37-28)22-12-8-7-9-13-22)36-31(39)35-21-11-10-14-23(16-21)43-30-24-17-26(40-4)27(41-5)18-25(24)33-20-34-30/h7-14,16-20H,6,15H2,1-5H3,(H2,35,36,39)
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US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333649
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333649
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333649
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)
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US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333649
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333649
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333649
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333651
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O5S/c1-36-7-8-39-19-10-16(27(28,29)30)9-18(11-19)34-26(35)33-17-5-4-6-20(12-17)40-25-21-13-23(37-2)24(38-3)14-22(21)31-15-32-25/h4-6,9-15H,7-8H2,1-3H3,(H2,33,34,35)
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US Patent
n/an/an/a 750n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333651
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O5S/c1-36-7-8-39-19-10-16(27(28,29)30)9-18(11-19)34-26(35)33-17-5-4-6-20(12-17)40-25-21-13-23(37-2)24(38-3)14-22(21)31-15-32-25/h4-6,9-15H,7-8H2,1-3H3,(H2,33,34,35)
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n/an/an/a 750n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333651
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O5S/c1-36-7-8-39-19-10-16(27(28,29)30)9-18(11-19)34-26(35)33-17-5-4-6-20(12-17)40-25-21-13-23(37-2)24(38-3)14-22(21)31-15-32-25/h4-6,9-15H,7-8H2,1-3H3,(H2,33,34,35)
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n/an/an/a>1.00E+3n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333652
PNG
(1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6,7- dim...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O4S/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)35-17-9-5-8-16(10-17)28-25(31)29-23-13-20(34-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333652
PNG
(1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6,7- dim...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O4S/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)35-17-9-5-8-16(10-17)28-25(31)29-23-13-20(34-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)
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n/an/an/a 375n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333652
PNG
(1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6,7- dim...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O4S/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)35-17-9-5-8-16(10-17)28-25(31)29-23-13-20(34-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333653
PNG
(1-(3-tert- butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C26H29N5O6/c1-26(2,3)22-14-23(37-31-22)30-25(32)29-16-7-6-8-17(11-16)36-24-18-12-20(34-5)21(35-10-9-33-4)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,32)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333653
PNG
(1-(3-tert- butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C26H29N5O6/c1-26(2,3)22-14-23(37-31-22)30-25(32)29-16-7-6-8-17(11-16)36-24-18-12-20(34-5)21(35-10-9-33-4)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,32)
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n/an/an/a 375n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

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


(Homo sapiens (Human))
BDBM333653
PNG
(1-(3-tert- butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C26H29N5O6/c1-26(2,3)22-14-23(37-31-22)30-25(32)29-16-7-6-8-17(11-16)36-24-18-12-20(34-5)21(35-10-9-33-4)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,32)
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n/an/an/a 375n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333654
PNG
(1-(3-(6- Methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)-c4ccccc4)c3)c2cc1OC
Show InChI InChI=1S/C28H25N5O5S/c1-35-11-12-37-25-15-22-21(14-24(25)36-2)27(30-17-29-22)39-20-10-6-9-19(13-20)31-28(34)32-26-16-23(38-33-26)18-7-4-3-5-8-18/h3-10,13-17H,11-12H2,1-2H3,(H2,31,32,33,34)
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n/an/an/a>1.00E+3n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
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