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Compile Data Set for Download or QSAR

Found 4583 hits Enz. Inhib. hit(s) with Target = 'RAF serine/threonine protein kinase'   
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
B-RAF V600E


(Homo sapiens (Human))
BDBM333849
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES CCc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C28H26N6O3S/c1-4-18-14-26(34(33-18)20-10-6-5-7-11-20)32-28(35)31-19-9-8-12-21(13-19)38-27-22-15-24(36-2)25(37-3)16-23(22)29-17-30-27/h5-17H,4H2,1-3H3,(H2,31,32,35)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333819
PNG
(1-(3-tertbutyl- 1-(4- tertbutylphenyl)- 1H-pyrazol...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)C(C)(C)C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C34H38N6O4/c1-33(2,3)21-12-14-23(15-13-21)40-30(19-29(39-40)34(4,5)6)38-32(41)37-22-10-9-11-24(16-22)44-31-25-17-27(42-7)28(43-8)18-26(25)35-20-36-31/h9-20H,1-8H3,(H2,37,38,41)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333820
PNG
(1-(3-tertbutyl- 1-(4- tertbutylphenyl)- 1H-pyrazol...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)C(C)(C)C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C34H38N6O3S/c1-33(2,3)21-12-14-23(15-13-21)40-30(19-29(39-40)34(4,5)6)38-32(41)37-22-10-9-11-24(16-22)44-31-25-17-27(42-7)28(43-8)18-26(25)35-20-36-31/h9-20H,1-8H3,(H2,37,38,41)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333822
PNG
(1-(3-tertbutyl- 1-(2- fluorophenyl)- 1H- pyrazol-5...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4F)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C30H29FN6O4/c1-30(2,3)26-16-27(37(36-26)23-12-7-6-11-21(23)31)35-29(38)34-18-9-8-10-19(13-18)41-28-20-14-24(39-4)25(40-5)15-22(20)32-17-33-28/h6-17H,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
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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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
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

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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
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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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333765
PNG
(1-(3-(2,2- difluoroethyl)- 1-(4- methoxyphenyl)- 1...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Oc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(F)F
Show InChI InChI=1S/C29H26F2N6O5/c1-29(30,31)25-15-26(37(36-25)18-8-10-19(39-2)11-9-18)35-28(38)34-17-6-5-7-20(12-17)42-27-21-13-23(40-3)24(41-4)14-22(21)32-16-33-27/h5-16H,1-4H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333766
PNG
(1-(3-(1,1- difluoroethyl)- 1-(5- fluoropyridin- 3-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cncc(F)c4)C(C)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C27H22F3N7O4/c1-27(29,30)23-11-24(37(36-23)17-7-15(28)12-31-13-17)35-26(38)34-16-5-4-6-18(8-16)41-25-19-9-21(39-2)22(40-3)10-20(19)32-14-33-25/h4-14H,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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333767
PNG
(1-(3-tert- butyl-1- (6-oxo-1,6- dihydropyridin- 3-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccc(=O)[nH]c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H29N7O5/c1-29(2,3)24-14-25(36(35-24)18-9-10-26(37)30-15-18)34-28(38)33-17-7-6-8-19(11-17)41-27-20-12-22(39-4)23(40-5)13-21(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333768
PNG
(1-(3-(1,1- difluoroethyl)-1- phenyl-1H- pyrazol- 5...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C28H24F2N6O4/c1-28(29,30)24-15-25(36(35-24)18-9-5-4-6-10-18)34-27(37)33-17-8-7-11-19(12-17)40-26-20-13-22(38-2)23(39-3)14-21(20)31-16-32-26/h4-16H,1-3H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333769
PNG
(Preparation of 1- (3-(1,1- difluoroethyl)-1- pheny...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C28H24F2N6O3S/c1-28(29,30)24-15-25(36(35-24)18-9-5-4-6-10-18)34-27(37)33-17-8-7-11-19(12-17)40-26-20-13-22(38-2)23(39-3)14-21(20)31-16-32-26/h4-16H,1-3H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333770
PNG
(1-(3-tert- butyl-1-(2- methylpyridin- 4-yl)- 1H-py...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccnc(C)c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C30H31N7O4/c1-18-12-20(10-11-31-18)37-27(16-26(36-37)30(2,3)4)35-29(38)34-19-8-7-9-21(13-19)41-28-22-14-24(39-5)25(40-6)15-23(22)32-17-33-28/h7-17H,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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333771
PNG
(1-(3-tert- butyl-1- ethyl-1H- pyrazol-5- yl)-3-(3-...)
Show SMILES CCn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C
Show InChI InChI=1S/C26H30N6O3S/c1-7-32-23(14-22(31-32)26(2,3)4)30-25(33)29-16-9-8-10-17(11-16)36-24-18-12-20(34-5)21(35-6)13-19(18)27-15-28-24/h8-15H,7H2,1-6H3,(H2,29,30,33)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333772
PNG
(1-(3-tert- butyl-1- (pyridin-3- yl)-1H-pyrazol- 5-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cccnc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H29N7O4/c1-29(2,3)25-15-26(36(35-25)19-9-7-11-30-16-19)34-28(37)33-18-8-6-10-20(12-18)40-27-21-13-23(38-4)24(39-5)14-22(21)31-17-32-27/h6-17H,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333773
PNG
(1-(3-tert- butyl-1- (pyridin-3- yl)-1H-pyrazol- 5-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4cccnc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H29N7O3S/c1-29(2,3)25-15-26(36(35-25)19-9-7-11-30-16-19)34-28(37)33-18-8-6-10-20(12-18)40-27-21-13-23(38-4)24(39-5)14-22(21)31-17-32-27/h6-17H,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333774
PNG
(Preparation of 1-(3- (6,7- dimethoxy- quinazolin- ...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H28N6O4/c1-18(2)23-16-27(35(34-23)20-10-6-5-7-11-20)33-29(36)32-19-9-8-12-21(13-19)39-28-22-14-25(37-3)26(38-4)15-24(22)30-17-31-28/h5-18H,1-4H3,(H2,32,33,36)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333775
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-ylthio) phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H28N6O3S/c1-18(2)23-16-27(35(34-23)20-10-6-5-7-11-20)33-29(36)32-19-9-8-12-21(13-19)39-28-22-14-25(37-3)26(38-4)15-24(22)30-17-31-28/h5-18H,1-4H3,(H2,32,33,36)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333827
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy)phenyl)-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H20F3N5O5/c1-34-17-9-15-16(10-18(17)35-2)28-12-29-21(15)36-14-5-3-4-13(8-14)30-22(33)31-20-11-19(37-32-20)23(6-7-23)24(25,26)27/h3-5,8-12H,6-7H2,1-2H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333828
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-ylthio)phenyl)...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H20F3N5O4S/c1-34-17-9-15-16(10-18(17)35-2)28-12-29-21(15)37-14-5-3-4-13(8-14)30-22(33)31-20-11-19(36-32-20)23(6-7-23)24(25,26)27/h3-5,8-12H,6-7H2,1-2H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333831
PNG
(1-(3-(2- cyanopropan- 2-yl)isoxazol-5- yl)-3-(3-(6...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C24H22N6O4S/c1-24(2,12-25)20-11-21(34-30-20)29-23(31)28-14-6-5-7-15(8-14)35-22-16-9-18(32-3)19(33-4)10-17(16)26-13-27-22/h5-11,13H,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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333832
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C21H16F3N5O4S/c1-31-15-7-13-14(8-16(15)32-2)25-10-26-19(13)34-12-5-3-4-11(6-12)27-20(30)28-18-9-17(29-33-18)21(22,23)24/h3-10H,1-2H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333834
PNG
(Example 384 Preparation of 1- (3-(7-ethoxy-6- meth...)
Show SMILES CCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C28H23F3N6O4/c1-3-40-23-14-21-20(13-22(23)39-2)26(33-16-32-21)41-19-11-7-8-17(12-19)34-27(38)35-25-15-24(28(29,30)31)36-37(25)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333835
PNG
(1-(3-(7-ethoxy- 6-methoxy- quinazolin- 4-yloxy)phe...)
Show SMILES CCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C24H24FN5O5/c1-5-33-19-11-17-16(10-18(19)32-4)22(27-13-26-17)34-15-8-6-7-14(9-15)28-23(31)29-21-12-20(30-35-21)24(2,3)25/h6-13H,5H2,1-4H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333836
PNG
(1-(5-(1,3- difluoro- 2-methylpropan- 2- yl)isoxazo...)
Show SMILES CCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C25H25F2N5O5/c1-4-35-20-10-18-17(9-19(20)34-3)23(29-14-28-18)36-16-7-5-6-15(8-16)30-24(33)31-22-11-21(37-32-22)25(2,12-26)13-27/h5-11,14H,4,12-13H2,1-3H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333837
PNG
(1-(3-tert- butyl-1- phenyl-1H- pyrazol- 5- yl)-3-(...)
Show SMILES CCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C31H32N6O4/c1-6-40-26-17-24-23(16-25(26)39-5)29(33-19-32-24)41-22-14-10-11-20(15-22)34-30(38)35-28-18-27(31(2,3)4)36-37(28)21-12-8-7-9-13-21/h7-19H,6H2,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333838
PNG
(Example 388 Preparation of 1- (5- (1,3-difluoro-2-...)
Show SMILES CCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C25H25F2N5O4S/c1-4-35-20-10-18-17(9-19(20)34-3)23(29-14-28-18)37-16-7-5-6-15(8-16)30-24(33)31-22-11-21(36-32-22)25(2,12-26)13-27/h5-11,14H,4,12-13H2,1-3H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333839
PNG
(1-(3-(7-ethoxy-6- methoxy- quinazolin- 4- ylthio)p...)
Show SMILES CCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C24H24FN5O4S/c1-5-33-19-11-17-16(10-18(19)32-4)22(27-13-26-17)35-15-8-6-7-14(9-15)28-23(31)29-21-12-20(30-34-21)24(2,3)25/h6-13H,5H2,1-4H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333840
PNG
(1-(3-tert- butyl-1- phenyl-1H- pyrazol-5- yl)-3-(3...)
Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3)ncnc2cc1OC
Show InChI InChI=1S/C31H32N6O4/c1-6-40-26-16-23-24(17-25(26)39-5)32-19-33-29(23)41-22-14-10-11-20(15-22)34-30(38)35-28-18-27(31(2,3)4)36-37(28)21-12-8-7-9-13-21/h7-19H,6H2,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333841
PNG
((1-(3-(6-ethoxy- 7-methoxy- quinazolin- 4-yloxy)ph...)
Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)F)c3)ncnc2cc1OC
Show InChI InChI=1S/C28H24F2N6O4/c1-3-39-24-13-20-21(14-23(24)38-2)31-16-32-27(20)40-19-11-7-8-17(12-19)33-28(37)34-25-15-22(26(29)30)35-36(25)18-9-5-4-6-10-18/h4-16,26H,3H2,1-2H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333842
PNG
(1-(3-(6-ethoxy-7- methoxy- quinazolin-4- yloxy)phe...)
Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H24FN5O5/c1-5-33-19-10-16-17(11-18(19)32-4)26-13-27-22(16)34-15-8-6-7-14(9-15)28-23(31)29-21-12-20(30-35-21)24(2,3)25/h6-13H,5H2,1-4H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333776
PNG
(Preparation of 1-(3- tert-butyl- 1-(5-fluoro- pyri...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cncc(F)c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H28FN7O4/c1-29(2,3)25-13-26(37(36-25)19-9-17(30)14-31-15-19)35-28(38)34-18-7-6-8-20(10-18)41-27-21-11-23(39-4)24(40-5)12-22(21)32-16-33-27/h6-16H,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333777
PNG
(1-(3-tert- butyl-1-(5- fluoropyridin- 3-yl)- 1H- p...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4cncc(F)c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H28FN7O3S/c1-29(2,3)25-13-26(37(36-25)19-9-17(30)14-31-15-19)35-28(38)34-18-7-6-8-20(10-18)41-27-21-11-23(39-4)24(40-5)12-22(21)32-16-33-27/h6-16H,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333778
PNG
(1-(3-tert- butyl-1-(4- cyanophenyl)- 1H- pyrazol-5...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)C#N)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C31H29N7O4/c1-31(2,3)27-16-28(38(37-27)21-11-9-19(17-32)10-12-21)36-30(39)35-20-7-6-8-22(13-20)42-29-23-14-25(40-4)26(41-5)15-24(23)33-18-34-29/h6-16,18H,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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333780
PNG
(1-(3-tert- butyl-1- cyclohexyl- 1H-pyrazol- 5-yl)-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C4CCCCC4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C30H36N6O4/c1-30(2,3)26-17-27(36(35-26)20-11-7-6-8-12-20)34-29(37)33-19-10-9-13-21(14-19)40-28-22-15-24(38-4)25(39-5)16-23(22)31-18-32-28/h9-10,13-18,20H,6-8,11-12H2,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333782
PNG
( 1-(3-tert-butyl- 1-isobutyl- 1H-pyrazol- 5-yl)-3-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4CC(C)C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C28H34N6O4/c1-17(2)15-34-25(14-24(33-34)28(3,4)5)32-27(35)31-18-9-8-10-19(11-18)38-26-20-12-22(36-6)23(37-7)13-21(20)29-16-30-26/h8-14,16-17H,15H2,1-7H3,(H2,31,32,35)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333783
PNG
(1-(3-tert- butyl-1- isobutyl-1H- pyrazol-5-yl)- 3-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4CC(C)C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C28H34N6O3S/c1-17(2)15-34-25(14-24(33-34)28(3,4)5)32-27(35)31-18-9-8-10-19(11-18)38-26-20-12-22(36-6)23(37-7)13-21(20)29-16-30-26/h8-14,16-17H,15H2,1-7H3,(H2,31,32,35)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333784
PNG
(1-(3-tert- butyl-1- isopropyl-1H- pyrazol-5-yl)- 3...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C(C)C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C27H32N6O4/c1-16(2)33-24(14-23(32-33)27(3,4)5)31-26(34)30-17-9-8-10-18(11-17)37-25-19-12-21(35-6)22(36-7)13-20(19)28-15-29-25/h8-16H,1-7H3,(H2,30,31,34)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333785
PNG
(1-(3-tert- butyl-1- isopropyl- 1H-pyrazol- 5-yl)-3...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C(C)C)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C27H32N6O3S/c1-16(2)33-24(14-23(32-33)27(3,4)5)31-26(34)30-17-9-8-10-18(11-17)37-25-19-12-21(35-6)22(36-7)13-20(19)28-15-29-25/h8-16H,1-7H3,(H2,30,31,34)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333786
PNG
(1-(3-tert- butyl-1- (pyridin-4-yl)- 1H-pyrazol- 5-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccncc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H29N7O4/c1-29(2,3)25-16-26(36(35-25)19-9-11-30-12-10-19)34-28(37)33-18-7-6-8-20(13-18)40-27-21-14-23(38-4)24(39-5)15-22(21)31-17-32-27/h6-17H,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333787
PNG
(1-(3-tert- butyl-1- (pyridin-4- yl)-1H-pyrazol- 5-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccncc4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C29H29N7O3S/c1-29(2,3)25-16-26(36(35-25)19-9-11-30-12-10-19)34-28(37)33-18-7-6-8-20(13-18)40-27-21-14-23(38-4)24(39-5)15-22(21)31-17-32-27/h6-17H,1-5H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333788
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy) phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C28H23F3N6O4/c1-16-6-4-8-18(10-16)37-25(14-24(36-37)28(29,30)31)35-27(38)34-17-7-5-9-19(11-17)41-26-20-12-22(39-2)23(40-3)13-21(20)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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333843
PNG
(1-(5-(1,3- difluoro- 2-methyl- propan-2- yl)isoxaz...)
Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)ncnc2cc1OC
Show InChI InChI=1S/C25H25F2N5O5/c1-4-35-20-9-17-18(10-19(20)34-3)28-14-29-23(17)36-16-7-5-6-15(8-16)30-24(33)31-22-11-21(37-32-22)25(2,12-26)13-27/h5-11,14H,4,12-13H2,1-3H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333844
PNG
(1-(3-(6- ethoxy-7- methoxy- quinazolin-4- ylthio) ...)
Show SMILES CCOc1cc2c(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H24FN5O4S/c1-5-33-19-10-16-17(11-18(19)32-4)26-13-27-22(16)35-15-8-6-7-14(9-15)28-23(31)29-21-12-20(30-34-21)24(2,3)25/h6-13H,5H2,1-4H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333845
PNG
(1-(5-(1,3- difluoro-2- methyl- propan-2- yl)isoxaz...)
Show SMILES CCOc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)ncnc2cc1OC
Show InChI InChI=1S/C25H25F2N5O4S/c1-4-35-20-9-17-18(10-19(20)34-3)28-14-29-23(17)37-16-7-5-6-15(8-16)30-24(33)31-22-11-21(36-32-22)25(2,12-26)13-27/h5-11,14H,4,12-13H2,1-3H3,(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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333846
PNG
((1-(3-(6- methoxy-7- (2- morpholino- ethoxy) quina...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)ncnc2cc1OCCN1CCOCC1
Show InChI InChI=1S/C32H30F3N7O5/c1-44-26-17-24-25(18-27(26)46-15-12-41-10-13-45-14-11-41)36-20-37-30(24)47-23-9-5-6-21(16-23)38-31(43)39-29-19-28(32(33,34)35)40-42(29)22-7-3-2-4-8-22/h2-9,16-20H,10-15H2,1H3,(H2,38,39,43)
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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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333847
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy)-4- fluo...)
Show SMILES COc1cc2ncnc(Oc3cc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)ccc3F)c2cc1OC
Show InChI InChI=1S/C27H20F4N6O4/c1-39-21-11-17-19(12-22(21)40-2)32-14-33-25(17)41-20-10-15(8-9-18(20)28)34-26(38)35-24-13-23(27(29,30)31)36-37(24)16-6-4-3-5-7-16/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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM333848
PNG
(1-(3-tert-butyl- 1-(4- methoxy- phenyl)- 1H-pyrazo...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1cccc(Oc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C
Show InChI InChI=1S/C30H31N7O5/c1-30(2,3)25-15-26(37(36-25)19-10-11-27(41-6)31-16-19)35-29(38)34-18-8-7-9-20(12-18)42-28-21-13-23(39-4)24(40-5)14-22(21)32-17-33-28/h7-17H,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)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
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