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Compile Data Set for Download or QSAR

Found 517 hits of kd data for polymerid = 1748,2939,309   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM88120
PNG
(US10245267, Example 1156 | US10709712, Example 115...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)
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n/an/an/a 3.60n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length CRAF (I330 to T640 residues) expressed in bacterial expression system by Kinomescan method


J Med Chem 63: 2013-2027 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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n/an/an/a 6.60n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/an/a 23n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)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,(H2,30,31,32,33)
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n/an/an/a 39n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI: 10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)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,(H2,30,31,32,33)
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n/an/an/a 39n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CRAF in human HEK293 cells after 1 hr by competition binding assay


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/an/a 170n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 230n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2RX99G5
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 230n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 230n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 230n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to RAF1


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
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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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))
BDBM333663
PNG
(1-[5-(1,3- difluoro-2- methylpropan-2- yl)isoxazol...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C26H27F2N5O6/c1-26(13-27,14-28)22-12-23(33-39-22)32-25(34)31-16-5-4-6-17(9-16)38-24-18-10-20(36-3)21(37-8-7-35-2)11-19(18)29-15-30-24/h4-6,9-12,15H,7-8,13-14H2,1-3H3,(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
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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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))
BDBM333668
PNG
(1-(3-(2- fluoropropan-2- yl)isoxazol-5- yl)-3- (3-...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C25H26FN5O6/c1-25(2,26)21-13-22(37-31-21)30-24(32)29-15-6-5-7-16(10-15)36-23-17-11-19(34-4)20(35-9-8-33-3)12-18(17)27-14-28-23/h5-7,10-14H,8-9H2,1-4H3,(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
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333670
PNG
(1-{3-[6- methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H23F3N6O5/c1-33-21(12-20(32-33)24(25,26)27)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,(H2,30,31,34)
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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
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333682
PNG
(1-(5- isopropylisoxazol- 3-yl)- 3-(3-(6- methoxy-7...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H27N5O5S/c1-15(2)20-13-23(30-35-20)29-25(31)28-16-6-5-7-17(10-16)36-24-18-11-21(33-4)22(34-9-8-32-3)12-19(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,30,31)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


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


US Patent US9730937 (2017)


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


(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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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))
BDBM333689
PNG
(1-{3-[6- methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H23F3N6O4S/c1-33-21(12-20(32-33)24(25,26)27)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,(H2,30,31,34)
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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333690
PNG
(1-{3-[6- methoxy-7- (2- methoxyethoxy) quinazolin-...)
Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(n(C)n4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H23F3N6O4S/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))
BDBM333700
PNG
(1-(4- methoxy-3- (trifluoromethyl) phenyl)-3-(3-(6...)
Show SMILES COc1ccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OCCN5CCOCC5)c(OC)cc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O6/c1-40-25-7-6-20(15-23(25)30(31,32)33)37-29(39)36-19-4-3-5-21(14-19)44-28-22-16-26(41-2)27(17-24(22)34-18-35-28)43-13-10-38-8-11-42-12-9-38/h3-7,14-18H,8-13H2,1-2H3,(H2,36,37,39)
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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))
BDBM333704
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy)phenyl)-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C21H16F3N5O5/c1-31-15-7-13-14(8-16(15)32-2)25-10-26-19(13)33-12-5-3-4-11(6-12)27-20(30)28-18-9-17(29-34-18)21(22,23)24/h3-10H,1-2H3,(H2,27,28,30)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


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


US Patent US9730937 (2017)


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


(Homo sapiens (Human))
BDBM333706
PNG
(1-(5-tert-butyl- isoxazol-3- yl)-3-(3-{7- [3-(1,1-...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C30H36N6O7S/c1-30(2,3)26-18-27(35-43-26)34-29(37)33-20-7-5-8-21(15-20)42-28-22-16-24(40-4)25(17-23(22)31-19-32-28)41-12-6-9-36-10-13-44(38,39)14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333707
PNG
(1-(3-(2- fluoropropan-2- yl)isoxazol-5- yl)-3-(3-(...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)ncnc2cc1O
Show InChI InChI=1S/C22H20FN5O5/c1-22(2,23)18-10-19(33-28-18)27-21(30)26-12-5-4-6-13(7-12)32-20-14-8-17(31-3)16(29)9-15(14)24-11-25-20/h4-11,29H,1-3H3,(H2,26,27,30)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


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


US Patent US9730937 (2017)


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


(Homo sapiens (Human))
BDBM333708
PNG
(1-(3-(2- fluoropropan-2- yl)isoxazol-5- yl)-3- (3-...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1O
Show InChI InChI=1S/C22H20FN5O5/c1-22(2,23)18-10-19(33-28-18)27-21(30)26-12-5-4-6-13(7-12)32-20-14-8-16(29)17(31-3)9-15(14)24-11-25-20/h4-11,29H,1-3H3,(H2,26,27,30)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


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


US Patent US9730937 (2017)


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


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)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,(H2,30,31,32,33)
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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))
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
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


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


(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
RAF proto-oncogene serine/threonine-protein kinase


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


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


(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
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


(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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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
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