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Compile Data Set for Download or QSAR

Found 2368 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
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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PubMed
0.160 -58.2n/an/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF 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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Article
PubMed
38 -44.1n/an/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25381
PNG
(1,7-dibenzyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl...)
Show SMILES Cn1c2nc(SCCO)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H22N4O3S/c1-24-19-18(20(28)26(22(24)29)15-17-10-6-3-7-11-17)25(21(23-19)30-13-12-27)14-16-8-4-2-5-9-16/h2-11,27H,12-15H2,1H3
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PubMed
106 -41.4 1.72E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25380
PNG
(1,7-dibenzyl-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfan...)
Show SMILES C\C(Cl)=C/CSc1nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C24H23ClN4O2S/c1-17(25)13-14-32-23-26-21-20(28(23)15-18-9-5-3-6-10-18)22(30)29(24(31)27(21)2)16-19-11-7-4-8-12-19/h3-13H,14-16H2,1-2H3/b17-13+
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PubMed
n/an/a 1.09E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25382
PNG
(2-({7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-2...)
Show SMILES Cn1c2nc(SCC(N)=O)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C15H14BrN5O3S/c1-20-12-11(13(23)19-14(20)24)21(15(18-12)25-7-10(17)22)6-8-3-2-4-9(16)5-8/h2-5H,6-7H2,1H3,(H2,17,22)(H,19,23,24)
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PubMed
n/an/a 1.11E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25383
PNG
(7-benzyl-3-methyl-8-[(2Z)-2-[1-(4-nitrophenyl)ethy...)
Show SMILES CC(N=Nc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N7O4/c1-13(15-8-10-16(11-9-15)28(31)32)24-25-20-22-18-17(19(29)23-21(30)26(18)2)27(20)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,29,30)
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PubMed
n/an/a 4.60E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25384
PNG
(7-benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dime...)
Show SMILES Cc1cc(C)n(n1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C19H20N6O2/c1-12-10-13(2)25(21-12)18-20-16-15(17(26)23(4)19(27)22(16)3)24(18)11-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
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PubMed
n/an/a 5.77E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25385
PNG
(8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-7-(2-hydr...)
Show SMILES C\C(Cl)=C/CSc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)CCc1ccccc1
Show InChI InChI=1S/C20H23ClN4O3S/c1-13(21)10-11-29-20-22-17-16(18(27)23-19(28)24(17)2)25(20)12-15(26)9-8-14-6-4-3-5-7-14/h3-7,10,15,26H,8-9,11-12H2,1-2H3,(H,23,27,28)/b13-10+
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n/an/a 3.75E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25386
PNG
(3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hyd...)
Show SMILES Cn1c2nc(N=NCc3cccc(c3)[N+]([O-])=O)n(CC=C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H15N7O4/c1-3-7-22-12-13(21(2)16(25)19-14(12)24)18-15(22)20-17-9-10-5-4-6-11(8-10)23(26)27/h3-6,8H,1,7,9H2,2H3,(H,19,24,25)
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n/an/a 3.75E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25387
PNG
(7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2Z)-2-...)
Show SMILES CC(N=Nc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18ClN7O4/c1-10(19)8-9-25-14-15(24(3)18(28)21-16(14)27)20-17(25)23-22-11(2)12-4-6-13(7-5-12)26(29)30/h4-8,11H,9H2,1-3H3,(H,21,27,28)/b10-8-,23-22?
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n/an/a 1.74E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25388
PNG
(7-benzyl-3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methyl...)
Show SMILES Cn1c2nc(N=NCc3cccc(c3)[N+]([O-])=O)n(Cc3ccccc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C20H17N7O4/c1-25-17-16(18(28)23-20(25)29)26(12-13-6-3-2-4-7-13)19(22-17)24-21-11-14-8-5-9-15(10-14)27(30)31/h2-10H,11-12H2,1H3,(H,23,28,29)
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n/an/a>5.00E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25389
PNG
(7-benzyl-3-methyl-8-[(2Z)-2-[(4-nitrophenyl)methyl...)
Show SMILES Cn1c2nc(N=NCc3ccc(cc3)[N+]([O-])=O)n(Cc3ccccc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C20H17N7O4/c1-25-17-16(18(28)23-20(25)29)26(12-14-5-3-2-4-6-14)19(22-17)24-21-11-13-7-9-15(10-8-13)27(30)31/h2-10H,11-12H2,1H3,(H,23,28,29)
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PubMed
n/an/a 5.79E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25390
PNG
(7-benzyl-3-methyl-8-[(2Z)-2-(1-phenylethylidene)hy...)
Show SMILES CC(N=Nc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H20N6O2/c1-14(16-11-7-4-8-12-16)24-25-20-22-18-17(19(28)23-21(29)26(18)2)27(20)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,23,28,29)
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PubMed
n/an/a 1.14E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25379
PNG
(7-benzyl-3-methyl-8-(methylsulfanyl)-2,3,6,7-tetra...)
Show SMILES CSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C14H14N4O2S/c1-17-11-10(12(19)16-13(17)20)18(14(15-11)21-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,16,19,20)
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PubMed
n/an/a 3.01E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF 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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PubMed
n/an/a 160n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25377
PNG
(3-({6,7-dimethyl-5-[(1-methylpyridin-1-ium-3-yl)ca...)
Show SMILES CC1Nc2nc(NC(=O)c3ccc[n+](C)c3)[nH]c(=O)c2N(C1C)C(=O)c1ccc[n+](C)c1
Show InChI InChI=1S/C22H23N7O3/c1-13-14(2)29(21(32)16-8-6-10-28(4)12-16)17-18(23-13)24-22(26-20(17)31)25-19(30)15-7-5-9-27(3)11-15/h5-14H,1-4H3,(H-2,23,24,25,26,30,31)/p+2
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PubMed
n/an/a 2.94E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25378
PNG
(7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanyl-2,3...)
Show SMILES Cn1c2[nH]c(=S)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C13H11ClN4O2S/c1-17-10-9(11(19)16-12(17)20)18(13(21)15-10)6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H,15,21)(H,16,19,20)
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PubMed
n/an/a 2.10E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25646
PNG
(4-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES Cn1cc(c(n1)-c1ccncc1O)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O2/c1-22-10-15(18(20-22)14-6-7-19-9-17(14)23)12-2-4-13-11(8-12)3-5-16(13)21-24/h2,4,6-10,16,23H,3,5H2,1H3
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n/an/a 2.90n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25647
PNG
((1Z)-5-[1-methyl-3-(pyrimidin-4-yl)-1H-pyrazol-4-y...)
Show SMILES Cn1cc(c(n1)-c1ccncn1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C17H15N5O/c1-22-9-14(17(20-22)16-6-7-18-10-19-16)12-2-4-13-11(8-12)3-5-15(13)21-23/h2,4,6-10,15H,3,5H2,1H3
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n/an/a 3.10n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25645
PNG
(4-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES Cn1cc(c(n1)-c1ccnc(N)c1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H17N5O/c1-23-10-15(18(21-23)13-6-7-20-17(19)9-13)12-2-4-14-11(8-12)3-5-16(14)22-24/h2,4,6-10,16H,3,5H2,1H3,(H2,19,20)
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n/an/a 2.10n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25644
PNG
((1Z)-5-[1-methyl-3-(1,3-oxazol-5-yl)-1H-pyrazol-4-...)
Show SMILES Cn1cc(c(n1)-c1cnco1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C16H14N4O2/c1-20-8-13(16(18-20)15-7-17-9-22-15)11-2-4-12-10(6-11)3-5-14(12)19-21/h2,4,6-9,14H,3,5H2,1H3
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n/an/a 4.10n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25643
PNG
((1Z)-5-[1-methyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cn1cc(c(n1)-c1cccnc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O/c1-22-11-16(18(20-22)14-3-2-8-19-10-14)13-4-6-15-12(9-13)5-7-17(15)21-23/h2-4,6,8-11,17H,5,7H2,1H3
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n/an/a 434n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25642
PNG
((1Z)-5-[1-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-p...)
Show SMILES Cn1cc(c(n1)-c1ccc2n(C)ncc2c1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C21H19N5O/c1-25-12-18(14-3-6-17-13(9-14)4-7-19(17)24-27)21(23-25)15-5-8-20-16(10-15)11-22-26(20)2/h3,5-6,8-12,19H,4,7H2,1-2H3
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n/an/a 970n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25641
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES CNC1CCCC(C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C24H27N5O/c1-25-19-3-2-4-20(14-19)29-15-22(24(27-29)16-9-11-26-12-10-16)18-5-7-21-17(13-18)6-8-23(21)28-30/h5,7,9-13,15,19-20,23,25H,2-4,6,8,14H2,1H3
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n/an/a 0.230n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25640
PNG
((1Z)-5-[1-(piperidin-3-ylmethyl)-3-(pyridin-4-yl)-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(CC2CCCNC2)nc1-c1ccncc1
Show InChI InChI=1S/C23H25N5O/c29-27-22-6-4-18-12-19(3-5-20(18)22)21-15-28(14-16-2-1-9-25-13-16)26-23(21)17-7-10-24-11-8-17/h3,5,7-8,10-12,15-16,22,25H,1-2,4,6,9,13-14H2
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n/an/a 0.850n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25639
PNG
((1Z)-5-[1-(piperidin-4-ylmethyl)-3-(pyridin-4-yl)-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(CC2CCNCC2)nc1-c1ccncc1
Show InChI InChI=1S/C23H25N5O/c29-27-22-4-2-18-13-19(1-3-20(18)22)21-15-28(14-16-5-9-24-10-6-16)26-23(21)17-7-11-25-12-8-17/h1,3,7-8,11-13,15-16,22,24H,2,4-6,9-10,14H2
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n/an/a 1.20n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25638
PNG
((1Z)-5-[1-(oxan-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCOCC1
Show InChI InChI=1S/C22H22N4O2/c27-25-21-4-2-16-13-17(1-3-19(16)21)20-14-26(18-7-11-28-12-8-18)24-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21H,2,4,7-8,11-12H2
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n/an/a 0.220n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25637
PNG
((1Z)-5-[1-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl...)
Show SMILES CN1CCC(CC1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H25N5O/c1-27-12-8-19(9-13-27)28-15-21(23(25-28)16-6-10-24-11-7-16)18-2-4-20-17(14-18)3-5-22(20)26-29/h2,4,6-7,10-11,14-15,19,22H,3,5,8-9,12-13H2,1H3
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n/an/a 0.340n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25636
PNG
((1Z)-5-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyr...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21,24H,2,4,7-8,11-12H2
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n/an/a 0.0300n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25635
PNG
((3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-...)
Show SMILES CN(C)CCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C22H25N5O/c1-26(2)12-3-13-27-15-20(22(24-27)16-8-10-23-11-9-16)18-4-6-19-17(14-18)5-7-21(19)25-28/h4,6,8-11,14-15,21H,3,5,7,12-13H2,1-2H3
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n/an/a 0.470n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25634
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES NCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H21N5O/c21-8-1-11-25-13-18(20(23-25)14-6-9-22-10-7-14)16-2-4-17-15(12-16)3-5-19(17)24-26/h2,4,6-7,9-10,12-13,19H,1,3,5,8,11,21H2
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n/an/a 0.390n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25633
PNG
((2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-...)
Show SMILES CN(C)CCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C21H23N5O/c1-25(2)11-12-26-14-19(21(23-26)15-7-9-22-10-8-15)17-3-5-18-16(13-17)4-6-20(18)24-27/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3
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n/an/a 4.02n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25632
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES NCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H19N5O/c20-7-10-24-12-17(19(22-24)13-5-8-21-9-6-13)15-1-3-16-14(11-15)2-4-18(16)23-25/h1,3,5-6,8-9,11-12,18H,2,4,7,10,20H2
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n/an/a 2.40n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25631
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCC(CO)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O3/c25-11-16(12-26)24-10-18(20(22-24)13-5-7-21-8-6-13)15-1-3-17-14(9-15)2-4-19(17)23-27/h1,3,5-10,16,19,25-26H,2,4,11-12H2
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n/an/a 0.560n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25618
PNG
((1Z)-5-[3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihy...)
Show SMILES O=NC1CCc2cc(ccc12)-c1c[nH]nc1-c1ccncc1
Show InChI InChI=1S/C17H14N4O/c22-21-16-4-2-12-9-13(1-3-14(12)16)15-10-19-20-17(15)11-5-7-18-8-6-11/h1,3,5-10,16H,2,4H2,(H,19,20)
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n/an/a 0.150n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25619
PNG
((1Z)-5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O/c1-22-11-16(18(20-22)12-6-8-19-9-7-12)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3
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n/an/a 0.0200n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25620
PNG
((1Z)-5-[1-methyl-5-(pyridin-4-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cn1ncc(c1-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O/c1-22-18(12-6-8-19-9-7-12)16(11-20-22)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3
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n/an/a 0.480n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25621
PNG
((1Z)-5-[1-ethyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-...)
Show SMILES CCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O/c1-2-23-12-17(19(21-23)13-7-9-20-10-8-13)15-3-5-16-14(11-15)4-6-18(16)22-24/h3,5,7-12,18H,2,4,6H2,1H3
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n/an/a 0.570n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25622
PNG
((1Z)-5-[1-cyclopentyl-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCCC1
Show InChI InChI=1S/C22H22N4O/c27-25-21-8-6-16-13-17(5-7-19(16)21)20-14-26(18-3-1-2-4-18)24-22(20)15-9-11-23-12-10-15/h5,7,9-14,18,21H,1-4,6,8H2
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n/an/a 3.46n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25623
PNG
((1S,2R)-2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@H]1CCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C22H22N4O2/c27-21-3-1-2-20(21)26-13-18(22(24-26)14-8-10-23-11-9-14)16-4-6-17-15(12-16)5-7-19(17)25-28/h4,6,8-13,19-21,27H,1-3,5,7H2/t19?,20-,21+/m1/s1
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n/an/a 3.91n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25624
PNG
((1R,2R)-2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@@H]1CCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C22H22N4O2/c27-21-3-1-2-20(21)26-13-18(22(24-26)14-8-10-23-11-9-14)16-4-6-17-15(12-16)5-7-19(17)25-28/h4,6,8-13,19-21,27H,1-3,5,7H2/t19?,20-,21-/m1/s1
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n/an/a 0.330n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25625
PNG
((1S,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19+,22?/m1/s1
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n/an/a 0.0400n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25626
PNG
((1R,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19-,22?/m1/s1
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n/an/a 0.0900n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25627
PNG
((1Z)-5-[1-(2-methoxyethyl)-3-(pyridin-4-yl)-1H-pyr...)
Show SMILES COCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O2/c1-26-11-10-24-13-18(20(22-24)14-6-8-21-9-7-14)16-2-4-17-15(12-16)3-5-19(17)23-25/h2,4,6-9,12-13,19H,3,5,10-11H2,1H3
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n/an/a 1.16n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF 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/a 0.130n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25629
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O2/c25-11-1-10-24-13-18(20(22-24)14-6-8-21-9-7-14)16-2-4-17-15(12-16)3-5-19(17)23-26/h2,4,6-9,12-13,19,25H,1,3,5,10-11H2
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n/an/a 0.0500n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25630
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCC(O)Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O3/c25-12-16(26)10-24-11-18(20(22-24)13-5-7-21-8-6-13)15-1-3-17-14(9-15)2-4-19(17)23-27/h1,3,5-9,11,16,19,25-26H,2,4,10,12H2
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n/an/a 0.870n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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n/an/an/a 0.300n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM26041
PNG
(2-chloro-5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-...)
Show SMILES Oc1cc(ccc1Cl)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
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n/an/an/a 2.40n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM26055
PNG
(N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino...)
Show SMILES CN(C)CCNC(=O)c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H24N4O3/c1-27(2)12-11-25-23(28)21-14-19(22(30-21)15-7-9-24-10-8-15)17-3-5-18-16(13-17)4-6-20(18)26-29/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3,(H,25,28)
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n/an/an/a 0.5n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
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