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Compile Data Set for Download or QSAR

Found 386 hits of kd for UniProtKB: P15056   
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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333571
PNG
(1-(3-tert- butylphenyl)- 3-(3-(6,7- dimethoxy- qui...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C27H28N4O4/c1-27(2,3)17-8-6-9-18(12-17)30-26(32)31-19-10-7-11-20(13-19)35-25-21-14-23(33-4)24(34-5)15-22(21)28-16-29-25/h6-16H,1-5H3,(H2,30,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333572
PNG
(1-(3-tert- butylphenyl)- 3-(3-(6- methoxy-7- (2- m...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H32N4O5/c1-29(2,3)19-8-6-9-20(14-19)32-28(34)33-21-10-7-11-22(15-21)38-27-23-16-25(36-5)26(37-13-12-35-4)17-24(23)30-18-31-27/h6-11,14-18H,12-13H2,1-5H3,(H2,32,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333573
PNG
(1-(3-tert- butylphenyl)- 3-(3-(6,7- dimethoxy- qui...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C27H28N4O3S/c1-27(2,3)17-8-6-9-18(12-17)30-26(32)31-19-10-7-11-20(13-19)35-25-21-14-23(33-4)24(34-5)15-22(21)28-16-29-25/h6-16H,1-5H3,(H2,30,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333574
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23N5O5/c1-13(2)17-11-21(33-28-17)27-23(29)26-14-6-5-7-15(8-14)32-22-16-9-19(30-3)20(31-4)10-18(16)24-12-25-22/h5-13H,1-4H3,(H2,26,27,29)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333576
PNG
(1-(3- cyclopropyl- isoxazol- 5- yl)-3-(3-(6,7- dim...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CC4)c3)c2cc1OC
Show InChI InChI=1S/C23H21N5O5/c1-30-19-9-16-18(10-20(19)31-2)24-12-25-22(16)32-15-5-3-4-14(8-15)26-23(29)27-21-11-17(28-33-21)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H2,26,27,29)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333577
PNG
(1-(3-(2- cyanopropan-2- yl)isoxazol- 5-yl)- 3-(3-(...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C24H22N6O5/c1-24(2,12-25)20-11-21(30-35-20)29-23(31)28-14-6-5-7-15(8-14)34-22-16-9-18(32-3)19(33-4)10-17(16)26-13-27-22/h5-11,13H,1-4H3,(H2,28,29,30,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333578
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C23H22FN5O5/c1-23(2,24)19-11-20(29-34-19)28-22(30)27-13-6-5-7-14(8-13)33-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333579
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4(C)CC4)c3)c2cc1OC
Show InChI InChI=1S/C24H23N5O5/c1-24(7-8-24)20-12-21(29-34-20)28-23(30)27-14-5-4-6-15(9-14)33-22-16-10-18(31-2)19(32-3)11-17(16)25-13-26-22/h4-6,9-13H,7-8H2,1-3H3,(H2,27,28,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333580
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COCC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)on1
Show InChI InChI=1S/C25H27N5O6/c1-25(2,13-32-3)21-12-22(36-30-21)29-24(31)28-15-7-6-8-16(9-15)35-23-17-10-19(33-4)20(34-5)11-18(17)26-14-27-23/h6-12,14H,13H2,1-5H3,(H2,28,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333583
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)CO)c3)c2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-24(2,12-30)20-11-21(29-35-20)28-23(31)27-14-6-5-7-15(8-14)34-22-16-9-18(32-3)19(33-4)10-17(16)25-13-26-22/h5-11,13,30H,12H2,1-4H3,(H2,27,28,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333584
PNG
(1-(3-tert- butylisoxazol- 5-yl)-3-(3- (6,7- dimeth...)
Show SMILES COc1cc2cccc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N3O5/c1-26(2,3)23-15-24(34-29-23)28-25(30)27-17-9-7-10-18(13-17)33-20-11-6-8-16-12-21(31-4)22(32-5)14-19(16)20/h6-15H,1-5H3,(H2,27,28,30)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333585
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23N5O5/c1-13(2)18-11-21(28-33-18)27-23(29)26-14-6-5-7-15(8-14)32-22-16-9-19(30-3)20(31-4)10-17(16)24-12-25-22/h5-13H,1-4H3,(H2,26,27,28,29)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333586
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23N5O4S/c1-13(2)18-11-21(28-32-18)27-23(29)26-14-6-5-7-15(8-14)33-22-16-9-19(30-3)20(31-4)10-17(16)24-12-25-22/h5-13H,1-4H3,(H2,26,27,28,29)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333587
PNG
(1-(5- cyclopentyl- isoxazol- 3-yl)-3-(3-(6,7- dime...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O5/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)34-17-9-5-8-16(10-17)28-25(31)29-23-13-20(35-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333578
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C23H22FN5O5/c1-23(2,24)19-11-20(29-34-19)28-22(30)27-13-6-5-7-14(8-13)33-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333590
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1ccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O5/c1-34-20-8-7-15(10-18(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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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333591
PNG
(1-(4- methoxy-3- (trifluoromethyl) phenyl)-3-(3-(6...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(OC)c(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H25F3N4O6/c1-36-9-10-39-24-14-21-19(13-23(24)38-3)25(32-15-31-21)40-18-6-4-5-16(11-18)33-26(35)34-17-7-8-22(37-2)20(12-17)27(28,29)30/h4-8,11-15H,9-10H2,1-3H3,(H2,33,34,35)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333593
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(ccn4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C23H18F3N5O4/c1-33-18-10-16-17(11-19(18)34-2)28-12-29-21(16)35-15-5-3-4-14(9-15)30-22(32)31-20-8-13(6-7-27-20)23(24,25)26/h3-12H,1-2H3,(H2,27,30,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333596
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C26H26N4O4/c1-16(2)17-7-5-8-18(11-17)29-26(31)30-19-9-6-10-20(12-19)34-25-21-13-23(32-3)24(33-4)14-22(21)27-15-28-25/h5-16H,1-4H3,(H2,29,30,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333597
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(ncn4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H17F3N6O4/c1-33-16-7-14-15(8-17(16)34-2)26-10-29-20(14)35-13-5-3-4-12(6-13)30-21(32)31-19-9-18(22(23,24)25)27-11-28-19/h3-11H,1-2H3,(H2,27,28,30,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333602
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C29H28F3N5O5/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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333603
PNG
(1-(3-(1,1- difluoroethyl) isoxazol-5- yl)-3-(3-(6,...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H19F2N5O5/c1-22(23,24)18-10-19(34-29-18)28-21(30)27-12-5-4-6-13(7-12)33-20-14-8-16(31-2)17(32-3)9-15(14)25-11-26-20/h4-11H,1-3H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333608
PNG
(1-(3-tert- butyl-1- methyl-1H- pyrazol-5- yl)-3-(3...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H28N6O3S/c1-25(2,3)21-13-22(31(4)30-21)29-24(32)28-15-8-7-9-16(10-15)35-23-17-11-19(33-5)20(34-6)12-18(17)26-14-27-23/h7-14H,1-6H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333609
PNG
(1-(3-tert- butyl-1- methyl-1H- pyrazol-5- yl)-3-(3...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H28N6O4/c1-25(2,3)21-13-22(31(4)30-21)29-24(32)28-15-8-7-9-16(10-15)35-23-17-11-19(33-5)20(34-6)12-18(17)26-14-27-23/h7-14H,1-6H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333611
PNG
(1-[3-(1,3- difluoro-2- methylpropan-2- yl)isoxazol...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(35-31-20)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,(H2,29,30,32)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333613
PNG
(1-[5-(1,3- difluoro-2- methylpropan-2- yl)isoxazol...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C24H23F2N5O5/c1-24(11-25,12-26)20-10-21(31-36-20)30-23(32)29-14-5-4-6-15(7-14)35-22-16-8-18(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333615
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl]...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H19F3N6O4/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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333616
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- yloxy) phenyl...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(n(C)n4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H19F3N6O4/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/h4-11H,1-3H3,(H2,28,29,30,32)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333728
PNG
(1-(3-(2-cyano- propan- 2- yl)phenyl)-3- (3-(6,7- d...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C27H25N5O4/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333729
PNG
(1-(3-(2-cyano- propan- 2-yl) phenyl)-3- (3-(6,7- d...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333730
PNG
(1-(3-(2-cyano- propan- 2- yl)phenyl)- 3-(3- (6-met...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C29H29N5O5/c1-29(2,17-30)19-7-5-8-20(13-19)33-28(35)34-21-9-6-10-22(14-21)39-27-23-15-25(37-4)26(38-12-11-36-3)16-24(23)31-18-32-27/h5-10,13-16,18H,11-12H2,1-4H3,(H2,33,34,35)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333730
PNG
(1-(3-(2-cyano- propan- 2- yl)phenyl)- 3-(3- (6-met...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C29H29N5O5/c1-29(2,17-30)19-7-5-8-20(13-19)33-28(35)34-21-9-6-10-22(14-21)39-27-23-15-25(37-4)26(38-12-11-36-3)16-24(23)31-18-32-27/h5-10,13-16,18H,11-12H2,1-4H3,(H2,33,34,35)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333739
PNG
(1-(3-tert- butyl-1- phenyl-1H- pyrazol- 5-yl)-3-(3...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3C)c2cc1OC
Show InChI InChI=1S/C31H32N6O4/c1-19-22(34-30(38)35-28-17-27(31(2,3)4)36-37(28)20-11-8-7-9-12-20)13-10-14-24(19)41-29-21-15-25(39-5)26(40-6)16-23(21)32-18-33-29/h7-18H,1-6H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333740
PNG
(1-(5-tert- butylisoxdazol- 3-yl)- 3-(3-(6,7- dimet...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3C)c2cc1OC
Show InChI InChI=1S/C25H27N5O5/c1-14-16(28-24(31)29-22-12-21(35-30-22)25(2,3)4)8-7-9-18(14)34-23-15-10-19(32-5)20(33-6)11-17(15)26-13-27-23/h7-13H,1-6H3,(H2,28,29,30,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333741
PNG
(1-(3-(6,7- Dimethoxy- quinazolin- 4-yloxy)- 2-meth...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3C)c2cc1OC
Show InChI InChI=1S/C28H23F3N6O4/c1-16-19(34-27(38)35-25-14-24(28(29,30)31)36-37(25)17-8-5-4-6-9-17)10-7-11-21(16)41-26-18-12-22(39-2)23(40-3)13-20(18)32-15-33-26/h4-15H,1-3H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333742
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy)-2- meth...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3C)c2cc1OC
Show InChI InChI=1S/C24H24FN5O5/c1-13-15(28-23(31)29-21-11-20(30-35-21)24(2,3)25)7-6-8-17(13)34-22-14-9-18(32-4)19(33-5)10-16(14)26-12-27-22/h6-12H,1-5H3,(H2,28,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333743
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy)- 4-fluo...)
Show SMILES COc1cc2ncnc(Oc3cc(NC(=O)Nc4cc(no4)C(C)(C)F)ccc3F)c2cc1OC
Show InChI InChI=1S/C23H21F2N5O5/c1-23(2,25)19-10-20(35-30-19)29-22(31)28-12-5-6-14(24)16(7-12)34-21-13-8-17(32-3)18(33-4)9-15(13)26-11-27-21/h5-11H,1-4H3,(H2,28,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333744
PNG
(1-(5-(1,3- difluoro-2- methylpropan-2- yl)isoxazol...)
Show SMILES COc1cc2ncnc(Oc3cc(NC(=O)Nc4cc(on4)C(C)(CF)CF)ccc3F)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-24(10-25,11-26)20-9-21(32-37-20)31-23(33)30-13-4-5-15(27)17(6-13)36-22-14-7-18(34-2)19(35-3)8-16(14)28-12-29-22/h4-9,12H,10-11H2,1-3H3,(H2,30,31,32,33)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333745
PNG
(1-(3-tert- butyl-1- phenyl-1H- pyrazol-5- yl)-3-(3...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3F)c2cc1OC
Show InChI InChI=1S/C30H29FN6O4/c1-30(2,3)25-16-26(37(36-25)18-10-7-6-8-11-18)35-29(38)34-20-12-9-13-22(27(20)31)41-28-19-14-23(39-4)24(40-5)15-21(19)32-17-33-28/h6-17H,1-5H3,(H2,34,35,38)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333746
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)-2- flu...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3F)c2cc1OC
Show InChI InChI=1S/C23H21F2N5O5/c1-23(2,25)18-10-19(35-30-18)29-22(31)28-13-6-5-7-15(20(13)24)34-21-12-8-16(32-3)17(33-4)9-14(12)26-11-27-21/h5-11H,1-4H3,(H2,28,29,31)
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AMBIT BIOSCIENCES CORPORATION

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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333747
PNG
(1-(5-(1,3- difluoro-2- methylpropan- 2-yl) isoxazo...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3F)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-24(10-25,11-26)19-9-20(32-37-19)31-23(33)30-14-5-4-6-16(21(14)27)36-22-13-7-17(34-2)18(35-3)8-15(13)28-12-29-22/h4-9,12H,10-11H2,1-3H3,(H2,30,31,32,33)
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AMBIT BIOSCIENCES CORPORATION

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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333749
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3- (2-chloro-5-(6,...)
Show SMILES COc1cc2ncnc(Oc3ccc(Cl)c(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C24H24ClN5O5/c1-24(2,3)20-11-21(30-35-20)29-23(31)28-17-8-13(6-7-15(17)25)34-22-14-9-18(32-4)19(33-5)10-16(14)26-12-27-22/h6-12H,1-5H3,(H2,28,29,30,31)
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AMBIT BIOSCIENCES CORPORATION

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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333753
PNG
(1-(3-tert- butyl-1-(4- methylpyridin- 3-yl)- 1H- p...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cnccc4C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C30H31N7O4/c1-18-10-11-31-16-23(18)37-27(15-26(36-37)30(2,3)4)35-29(38)34-19-8-7-9-20(12-19)41-28-21-13-24(39-5)25(40-6)14-22(21)32-17-33-28/h7-17H,1-6H3,(H2,34,35,38)
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AMBIT BIOSCIENCES CORPORATION

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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333755
PNG
(1-(3-tert- butyl-1-(2- methylpyridin- 3-yl)- 1H- p...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cccnc4C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C30H31N7O4/c1-18-23(11-8-12-31-18)37-27(16-26(36-37)30(2,3)4)35-29(38)34-19-9-7-10-20(13-19)41-28-21-14-24(39-5)25(40-6)15-22(21)32-17-33-28/h7-17H,1-6H3,(H2,34,35,38)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333758
PNG
(1-(3-(2- cyanopropan- 2- yl)-1- phenyl-1H- pyrazol...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C30H27N7O4/c1-30(2,17-31)26-16-27(37(36-26)20-10-6-5-7-11-20)35-29(38)34-19-9-8-12-21(13-19)41-28-22-14-24(39-3)25(40-4)15-23(22)32-18-33-28/h5-16,18H,1-4H3,(H2,34,35,38)
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AMBIT BIOSCIENCES CORPORATION

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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333759
PNG
(1-(3-(2- cyanopropan- 2- yl)-1- phenyl-1H- pyrazol...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C30H27N7O3S/c1-30(2,17-31)26-16-27(37(36-26)20-10-6-5-7-11-20)35-29(38)34-19-9-8-12-21(13-19)41-28-22-14-24(39-3)25(40-4)15-23(22)32-18-33-28/h5-16,18H,1-4H3,(H2,34,35,38)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333761
PNG
(1-(3-(1,1- difluoroethyl)-1- (pyridin-3-yl)- 1H- p...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cccnc4)C(C)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H23F2N7O4/c1-27(28,29)23-13-24(36(35-23)17-7-5-9-30-14-17)34-26(37)33-16-6-4-8-18(10-16)40-25-19-11-21(38-2)22(39-3)12-20(19)31-15-32-25/h4-15H,1-3H3,(H2,33,34,37)
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AMBIT BIOSCIENCES CORPORATION

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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333762
PNG
(1-(3-tert- butyl-1-(6- methylpyridin- 3-yl)- 1H- p...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccc(C)nc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C30H31N7O4/c1-18-10-11-20(16-31-18)37-27(15-26(36-37)30(2,3)4)35-29(38)34-19-8-7-9-21(12-19)41-28-22-13-24(39-5)25(40-6)14-23(22)32-17-33-28/h7-17H,1-6H3,(H2,34,35,38)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333763
PNG
(Preparation of 1-(3- tert-butyl-1- (2-oxo-1,2- dih...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cc[nH]c(=O)c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H29N7O5/c1-29(2,3)24-15-25(36(35-24)18-9-10-30-26(37)12-18)34-28(38)33-17-7-6-8-19(11-17)41-27-20-13-22(39-4)23(40-5)14-21(20)31-16-32-27/h6-16H,1-5H3,(H,30,37)(H2,33,34,38)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333764
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy) phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cncc(F)c4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C28H26FN7O4/c1-16(2)22-12-26(36(35-22)19-8-17(29)13-30-14-19)34-28(37)33-18-6-5-7-20(9-18)40-27-21-10-24(38-3)25(39-4)11-23(21)31-15-32-27/h5-16H,1-4H3,(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
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