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Patent code US9730937

Compile Data Set for Download or QSAR

Found 1155 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
Serine/threonine-protein kinase B-raf


(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
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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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)


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


(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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
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)


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


(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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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


(Homo sapiens (Human))
BDBM333508
PNG
(1-(5-tert- Butylisoxazol- 3-yl)-3-[3- (7-ethoxy-6-...)
Show SMILES CCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H27N5O4S/c1-6-33-20-12-18-17(11-19(20)32-5)23(27-14-26-18)35-16-9-7-8-15(10-16)28-24(31)29-22-13-21(34-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333510
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-{3- [6-methoxy- ...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C26H29N5O5S/c1-26(2,3)22-14-23(31-36-22)30-25(32)29-16-7-6-8-17(11-16)37-24-18-12-20(34-5)21(35-10-9-33-4)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,31,32)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333513
PNG
(1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [7-methoxy- ...)
Show SMILES COc1cc(OC2CCOCC2)c2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2c1
Show InChI InChI=1S/C28H31N5O5S/c1-28(2,3)23-15-24(33-38-23)32-27(34)31-17-6-5-7-20(12-17)39-26-25-21(29-16-30-26)13-19(35-4)14-22(25)37-18-8-10-36-11-9-18/h5-7,12-16,18H,8-11H2,1-4H3,(H2,31,32,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333518
PNG
(1-(5-tert- Butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O4S/c1-31(2,3)27-19-28(36-42-27)35-30(39)34-21-8-6-9-22(16-21)43-29-23-17-26(25(40-5)18-24(23)32-20-33-29)41-15-7-10-38-13-11-37(4)12-14-38/h6,8-9,16-20H,7,10-15H2,1-5H3,(H2,34,35,36,39)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333519
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoixy-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C31H39N7O6S2/c1-31(2,3)27-19-28(36-44-27)35-30(39)34-21-8-6-9-22(16-21)45-29-23-17-26(25(42-4)18-24(23)32-20-33-29)43-15-7-10-37-11-13-38(14-12-37)46(5,40)41/h6,8-9,16-20H,7,10-15H2,1-5H3,(H2,34,35,36,39)
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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)


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


(Homo sapiens (Human))
BDBM333502
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCS(C)(=O)=O
Show InChI InChI=1S/C27H31N5O6S2/c1-27(2,3)23-15-24(32-38-23)31-26(33)30-17-8-6-9-18(12-17)39-25-19-13-22(37-10-7-11-40(5,34)35)21(36-4)14-20(19)28-16-29-25/h6,8-9,12-16H,7,10-11H2,1-5H3,(H2,30,31,32,33)
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333525
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(2-(4- (h...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCN1CCC(CO)CC1
Show InChI InChI=1S/C31H38N6O5S/c1-31(2,3)27-17-28(36-42-27)35-30(39)34-21-6-5-7-22(14-21)43-29-23-15-26(25(40-4)16-24(23)32-19-33-29)41-13-12-37-10-8-20(18-38)9-11-37/h5-7,14-17,19-20,38H,8-13,18H2,1-4H3,(H2,34,35,36,39)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333713
PNG
(1-(3-(7- hydroxy-6- methoxy- quinazolin- 4- yloxy)...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)ncnc2cc1O
Show InChI InChI=1S/C23H20F3N5O5/c1-22(2,23(24,25)26)18-10-19(31-36-18)30-21(33)29-12-5-4-6-13(7-12)35-20-14-8-17(34-3)16(32)9-15(14)27-11-28-20/h4-11,32H,1-3H3,(H2,29,30,31,33)
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333714
PNG
(1-(3-(6- hydroxy-7- methoxy- quinazolin- 4- yloxy)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1O
Show InChI InChI=1S/C23H20F3N5O5/c1-22(2,23(24,25)26)18-10-19(31-36-18)30-21(33)29-12-5-4-6-13(7-12)35-20-14-8-16(32)17(34-3)9-15(14)27-11-28-20/h4-11,32H,1-3H3,(H2,29,30,31,33)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333715
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)-2- flu...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3F)c2cc1OC
Show InChI InChI=1S/C24H21F4N5O5/c1-23(2,24(26,27)28)18-10-19(33-38-18)32-22(34)31-13-6-5-7-15(20(13)25)37-21-12-8-16(35-3)17(36-4)9-14(12)29-11-30-21/h5-11H,1-4H3,(H2,31,32,33,34)
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333717
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(37-32-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,33)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333724
PNG
(1-(3-tert- butyl-1-p- tolyl-1H- pyrazol-5-yl)- 3-(...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C31H32N6O4/c1-19-10-12-21(13-11-19)37-28(17-27(36-37)31(2,3)4)35-30(38)34-20-8-7-9-22(14-20)41-29-23-15-25(39-5)26(40-6)16-24(23)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


(Homo sapiens (Human))
BDBM333726
PNG
(1-(3-tert- butyl-1-p- tolyl-1H- pyrazol-5-yl)- 3-(...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C33H36N6O5/c1-21-10-12-23(13-11-21)39-30(19-29(38-39)33(2,3)4)37-32(40)36-22-8-7-9-24(16-22)44-31-25-17-27(42-6)28(43-15-14-41-5)18-26(25)34-20-35-31/h7-13,16-20H,14-15H2,1-6H3,(H2,36,37,40)
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333726
PNG
(1-(3-tert- butyl-1-p- tolyl-1H- pyrazol-5-yl)- 3-(...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C33H36N6O5/c1-21-10-12-23(13-11-21)39-30(19-29(38-39)33(2,3)4)37-32(40)36-22-8-7-9-24(16-22)44-31-25-17-27(42-6)28(43-15-14-41-5)18-26(25)34-20-35-31/h7-13,16-20H,14-15H2,1-6H3,(H2,36,37,40)
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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
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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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333526
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCN1CCN(C)CC1
Show InChI InChI=1S/C30H37N7O4S/c1-30(2,3)26-18-27(35-41-26)34-29(38)33-20-7-6-8-21(15-20)42-28-22-16-25(24(39-5)17-23(22)31-19-32-28)40-14-13-37-11-9-36(4)10-12-37/h6-8,15-19H,9-14H2,1-5H3,(H2,33,34,35,38)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333528
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCN1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H37N7O6S2/c1-30(2,3)26-18-27(35-43-26)34-29(38)33-20-7-6-8-21(15-20)44-28-22-16-25(24(41-4)17-23(22)31-19-32-28)42-14-13-36-9-11-37(12-10-36)45(5,39)40/h6-8,15-19H,9-14H2,1-5H3,(H2,33,34,35,38)
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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)


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


(Homo sapiens (Human))
BDBM333529
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C29H34N6O5S/c1-29(2,3)25-17-26(34-40-25)33-28(36)32-19-6-5-7-20(14-19)41-27-21-15-24(23(37-4)16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333533
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(3-(4- (h...)
Show SMILES COc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C32H40N6O5S/c1-32(2,3)28-18-29(37-43-28)36-31(40)35-22-7-5-8-23(15-22)44-30-24-16-26(41-4)27(17-25(24)33-20-34-30)42-14-6-11-38-12-9-21(19-39)10-13-38/h5,7-8,15-18,20-21,39H,6,9-14,19H2,1-4H3,(H2,35,36,37,40)
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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


(Homo sapiens (Human))
BDBM333534
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(3-(4-(2-...)
Show SMILES COc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCN(CCO)CC1
Show InChI InChI=1S/C32H41N7O5S/c1-32(2,3)28-20-29(37-44-28)36-31(41)35-22-7-5-8-23(17-22)45-30-24-18-26(42-4)27(19-25(24)33-21-34-30)43-16-6-9-38-10-12-39(13-11-38)14-15-40/h5,7-8,17-21,40H,6,9-16H2,1-4H3,(H2,35,36,37,41)
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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


(Homo sapiens (Human))
BDBM333536
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C31H39N7O6S2/c1-31(2,3)27-19-28(36-44-27)35-30(39)34-21-8-6-9-22(16-21)45-29-23-17-25(42-4)26(18-24(23)32-20-33-29)43-15-7-10-37-11-13-38(14-12-37)46(5,40)41/h6,8-9,16-20H,7,10-15H2,1-5H3,(H2,34,35,36,39)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333537
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1
Show InChI InChI=1S/C29H34N6O5S/c1-29(2,3)25-17-26(34-40-25)33-28(36)32-19-6-5-7-20(14-19)41-27-21-15-23(37-4)24(16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333539
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H37N7O6S2/c1-30(2,3)26-18-27(35-43-26)34-29(38)33-20-7-6-8-21(15-20)44-28-22-16-24(41-4)25(17-23(22)31-19-32-28)42-14-13-36-9-11-37(12-10-36)45(5,39)40/h6-8,15-19H,9-14H2,1-5H3,(H2,33,34,35,38)
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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)


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


(Homo sapiens (Human))
BDBM333540
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCN(C)CC1
Show InChI InChI=1S/C30H37N7O4S/c1-30(2,3)26-18-27(35-41-26)34-29(38)33-20-7-6-8-21(15-20)42-28-22-16-24(39-5)25(17-23(22)31-19-32-28)40-14-13-37-11-9-36(4)10-12-37/h6-8,15-19H,9-14H2,1-5H3,(H2,33,34,35,38)
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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


(Homo sapiens (Human))
BDBM333541
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(2-(4-(2-...)
Show SMILES COc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCC(CCO)CC1
Show InChI InChI=1S/C32H40N6O5S/c1-32(2,3)28-19-29(37-43-28)36-31(40)35-22-6-5-7-23(16-22)44-30-24-17-26(41-4)27(18-25(24)33-20-34-30)42-15-13-38-11-8-21(9-12-38)10-14-39/h5-7,16-21,39H,8-15H2,1-4H3,(H2,35,36,37,40)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333658
PNG
(1-{3-[6- methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(n(C)n4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H23F3N6O5/c1-33-20(24(25,26)27)12-21(32-33)31-23(34)30-14-5-4-6-15(9-14)38-22-16-10-18(36-3)19(37-8-7-35-2)11-17(16)28-13-29-22/h4-6,9-13H,7-8H2,1-3H3,(H2,30,31,32,34)
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333658
PNG
(1-{3-[6- methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(n(C)n4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H23F3N6O5/c1-33-20(24(25,26)27)12-21(32-33)31-23(34)30-14-5-4-6-15(9-14)38-22-16-10-18(36-3)19(37-8-7-35-2)11-17(16)28-13-29-22/h4-6,9-13H,7-8H2,1-3H3,(H2,30,31,32,34)
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333661
PNG
(1-(3-(1,1- difluoroethyl) isoxazol- 5- yl)-3-(3-(6...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H23F2N5O6/c1-24(25,26)20-12-21(37-31-20)30-23(32)29-14-5-4-6-15(9-14)36-22-16-10-18(34-3)19(35-8-7-33-2)11-17(16)27-13-28-22/h4-6,9-13H,7-8H2,1-3H3,(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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333664
PNG
(1-(3- cyclopropyl- isoxazol- 5- yl)-3-(3-(6- metho...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O6/c1-32-8-9-34-22-12-20-18(11-21(22)33-2)24(27-14-26-20)35-17-5-3-4-16(10-17)28-25(31)29-23-13-19(30-36-23)15-6-7-15/h3-5,10-15H,6-9H2,1-2H3,(H2,28,29,31)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333665
PNG
(1-(3- isopropylisoxazol- 5-yl)- 3-(3-(6-methoxy- 7...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H27N5O6/c1-15(2)19-13-23(36-30-19)29-25(31)28-16-6-5-7-17(10-16)35-24-18-11-21(33-4)22(34-9-8-32-3)12-20(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,31)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333667
PNG
(1-(5-(1- methoxy-2- methylpropan-2- yl)isoxazol- 3...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)COC)c3)c2cc1OC
Show InChI InChI=1S/C27H31N5O7/c1-27(2,15-35-4)23-14-24(39-32-23)31-26(33)30-17-7-6-8-18(11-17)38-25-19-12-21(36-5)22(37-10-9-34-3)13-20(19)28-16-29-25/h6-8,11-14,16H,9-10,15H2,1-5H3,(H2,30,31,33)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333669
PNG
(1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6- metho...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC
Show InChI InChI=1S/C27H29N5O6/c1-34-10-11-36-24-14-21-20(13-23(24)35-2)26(29-16-28-21)37-19-9-5-8-18(12-19)30-27(33)31-25-15-22(38-32-25)17-6-3-4-7-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,30,31,32,33)
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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)


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


(Homo sapiens (Human))
BDBM333671
PNG
(1-{3-[6- methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C29H25F3N6O4S/c1-40-11-12-42-24-15-22-21(14-23(24)41-2)27(34-17-33-22)43-20-10-6-7-18(13-20)35-28(39)36-26-16-25(29(30,31)32)37-38(26)19-8-4-3-5-9-19/h3-10,13-17H,11-12H2,1-2H3,(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)


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


(Homo sapiens (Human))
BDBM333672
PNG
(1-(3-fluoro-4- (trifluoromethyl) phenyl)- 3-(3-(6-...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(c(F)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C26H22F4N4O5/c1-36-8-9-38-23-13-21-18(12-22(23)37-2)24(32-14-31-21)39-17-5-3-4-15(10-17)33-25(35)34-16-6-7-19(20(27)11-16)26(28,29)30/h3-7,10-14H,8-9H2,1-2H3,(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


(Homo sapiens (Human))
BDBM333673
PNG
(1-(3- methoxy-4- (trifluoromethyl) phenyl)- 3-(3-(...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(c(OC)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)34-17-7-8-20(27(28,29)30)22(12-17)37-2/h4-8,11-15H,9-10H2,1-3H3,(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


(Homo sapiens (Human))
BDBM333543
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(2- metho...)
Show SMILES COCCOc1ccc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2c1
Show InChI InChI=1S/C25H27N5O4S/c1-25(2,3)21-14-22(30-34-21)29-24(31)28-16-6-5-7-18(12-16)35-23-19-13-17(33-11-10-32-4)8-9-20(19)26-15-27-23/h5-9,12-15H,10-11H2,1-4H3,(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


(Homo sapiens (Human))
BDBM333546
PNG
(1-(5-tert- Butyl- isoxazol-3- yl)-3-(3-{6- [3-(1,1...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4ccc(OCCCN5CCS(=O)(=O)CC5)cc34)c2)no1
Show InChI InChI=1S/C29H34N6O5S2/c1-29(2,3)25-18-26(34-40-25)33-28(36)32-20-6-4-7-22(16-20)41-27-23-17-21(8-9-24(23)30-19-31-27)39-13-5-10-35-11-14-42(37,38)15-12-35/h4,6-9,16-19H,5,10-15H2,1-3H3,(H2,32,33,34,36)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333555
PNG
((R)-1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(2- h...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC[C@H](O)CN1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O6/c1-31(2,3)27-16-28(36-44-27)35-30(40)34-20-7-6-8-22(13-20)43-29-23-14-25(41-5)26(15-24(23)32-19-33-29)42-18-21(39)17-38-11-9-37(4)10-12-38/h6-8,13-16,19,21,39H,9-12,17-18H2,1-5H3,(H2,34,35,36,40)/t21-/m1/s1
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333556
PNG
(1-(3-tert- Butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCC1CCNCC1
Show InChI InChI=1S/C29H34N6O5/c1-29(2,3)25-15-26(35-40-25)34-28(36)33-19-6-5-7-20(12-19)39-27-21-13-23(37-4)24(14-22(21)31-17-32-27)38-16-18-8-10-30-11-9-18/h5-7,12-15,17-18,30H,8-11,16H2,1-4H3,(H2,33,34,35,36)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333557
PNG
(1-(3-tert- butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C30H36N6O5/c1-30(2,3)26-16-27(35-41-26)34-29(37)33-20-7-6-8-21(13-20)40-28-22-14-24(38-5)25(15-23(22)31-18-32-28)39-17-19-9-11-36(4)12-10-19/h6-8,13-16,18-19H,9-12,17H2,1-5H3,(H2,33,34,35,37)
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333559
PNG
((S)-1-(5-tert- Butylisoxazol- 3-yl)-3-(3- {6-metho...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1O[C@H]1CCN(CC(F)(F)F)C1
Show InChI InChI=1S/C29H31F3N6O5/c1-28(2,3)24-13-25(37-43-24)36-27(39)35-17-6-5-7-18(10-17)42-26-20-11-22(40-4)23(12-21(20)33-16-34-26)41-19-8-9-38(14-19)15-29(30,31)32/h5-7,10-13,16,19H,8-9,14-15H2,1-4H3,(H2,35,36,37,39)/t19-/m0/s1
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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
B-RAF V600E


(Homo sapiens (Human))
BDBM333679
PNG
(1-(3-(6- methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C23H20F3N5O6/c1-33-6-7-35-18-10-16-15(9-17(18)34-2)21(28-12-27-16)36-14-5-3-4-13(8-14)29-22(32)30-20-11-19(31-37-20)23(24,25)26/h3-5,8-12H,6-7H2,1-2H3,(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)


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


(Homo sapiens (Human))
BDBM333683
PNG
(1-(3- methoxy-4- (trifluoromethyl) phenyl)-3- (3-(...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(OC)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H25F3N4O5S/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)34-17-7-8-20(27(28,29)30)22(12-17)37-2/h4-8,11-15H,9-10H2,1-3H3,(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


(Homo sapiens (Human))
BDBM333685
PNG
(1-(5- cyclopentyl- isoxazol- 3- yl)-3-(3-(6- metho...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC
Show InChI InChI=1S/C27H29N5O5S/c1-34-10-11-36-24-14-21-20(13-23(24)35-2)26(29-16-28-21)38-19-9-5-8-18(12-19)30-27(33)31-25-15-22(37-32-25)17-6-3-4-7-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,30,31,32,33)
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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
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