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Compile Data Set for Download or QSAR

Found 57 hits from Cancer Research UK Centre for Cancer Therapeutics   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(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
n/an/a 43n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-RAF V600E


(Homo sapiens (Human))
BDBM25616
PNG
(2,6-Disubstituted Pyrazine, 79 | N-{4-[(6-{[3-(1,3...)
Show SMILES CC(=O)Nc1ccc(Oc2cncc(Nc3cccc(c3)-c3cnco3)n2)c2ccccc12
Show InChI InChI=1S/C25H19N5O3/c1-16(31)28-21-9-10-22(20-8-3-2-7-19(20)21)33-25-14-26-13-24(30-25)29-18-6-4-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)
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n/an/a 310n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25612
PNG
(2,6-Disubstituted Pyrazine, 70 | N-[5-({6-[(3,4,5-...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4c(NC(C)=O)cccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C25H24N4O5/c1-15(30)27-19-9-5-8-18-17(19)7-6-10-20(18)34-24-14-26-13-23(29-24)28-16-11-21(31-2)25(33-4)22(12-16)32-3/h5-14H,1-4H3,(H,27,30)(H,28,29)
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n/an/a 410n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25613
PNG
(2,6-Disubstituted Pyrazine, 76 | N-[4-({6-[(3,4,5-...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)c4ccccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C25H24N4O5/c1-15(30)27-19-9-10-20(18-8-6-5-7-17(18)19)34-24-14-26-13-23(29-24)28-16-11-21(31-2)25(33-4)22(12-16)32-3/h5-14H,1-4H3,(H,27,30)(H,28,29)
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n/an/a 560n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25614
PNG
(2,6-Disubstituted Pyrazine, 77 | N-{5-[(6-{[3-(1,3...)
Show SMILES CC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(c4)-c4cnco4)n3)cccc12
Show InChI InChI=1S/C25H19N5O3/c1-16(31)28-21-9-3-8-20-19(21)7-4-10-22(20)33-25-14-26-13-24(30-25)29-18-6-2-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)
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n/an/a 650n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25570
PNG
(2,6-Disubstituted Pyrazine, 13 | 4-{6-[(3,4,5-trim...)
Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(cc2)C(N)=O)cc(OC)c1OC
Show InChI InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)
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n/an/a 1.10E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25580
PNG
(2,6-Disubstituted Pyrazine, 26 | 6-(naphthalen-1-y...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4ccccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C23H21N3O4/c1-27-19-11-16(12-20(28-2)23(19)29-3)25-21-13-24-14-22(26-21)30-18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3,(H,25,26)
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n/an/a 1.20E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25569
PNG
(1-phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]py...)
Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C26H25N5O4/c1-33-22-13-20(14-23(34-2)25(22)35-3)28-24-16-27-15-21(31-24)17-9-11-19(12-10-17)30-26(32)29-18-7-5-4-6-8-18/h4-16H,1-3H3,(H,28,31)(H2,29,30,32)
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n/an/a 1.20E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25609
PNG
(2,6-Disubstituted Pyrazine, 73 | 6-{[(1E)-1-(hydro...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4C(CCc34)N=O)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H22N4O5/c1-28-18-9-13(10-19(29-2)22(18)30-3)24-20-11-23-12-21(25-20)31-17-6-4-5-14-15(17)7-8-16(14)26-27/h4-6,9-12,16H,7-8H2,1-3H3,(H,24,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25590
PNG
(2,6-Disubstituted Pyrazine, 53 | 6-(quinolin-4-ylo...)
Show SMILES COc1cc(Nc2cncc(Oc3ccnc4ccccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N4O4/c1-27-18-10-14(11-19(28-2)22(18)29-3)25-20-12-23-13-21(26-20)30-17-8-9-24-16-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,25,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25615
PNG
(2,6-Disubstituted Pyrazine, 78 | N-[5-({6-[(3-oxo-...)
Show SMILES CC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5COC(=O)c5c4)n3)cccc12
Show InChI InChI=1S/C24H18N4O4/c1-14(29)26-20-6-2-5-18-17(20)4-3-7-21(18)32-23-12-25-11-22(28-23)27-16-9-8-15-13-31-24(30)19(15)10-16/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25562
PNG
(2,6-Disubstituted Pyrazine, 4 | 6-(pyridin-4-yl)-N...)
Show SMILES COc1cc(Nc2cncc(n2)-c2ccncc2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O3/c1-23-15-8-13(9-16(24-2)18(15)25-3)21-17-11-20-10-14(22-17)12-4-6-19-7-5-12/h4-11H,1-3H3,(H,21,22)
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n/an/a 2.90E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25568
PNG
(2,6-Disubstituted Pyrazine, 10 | 4-{6-[(3,4,5-trim...)
Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(C=O)cc2)cc(OC)c1OC
Show InChI InChI=1S/C20H19N3O4/c1-25-17-8-15(9-18(26-2)20(17)27-3)22-19-11-21-10-16(23-19)14-6-4-13(12-24)5-7-14/h4-12H,1-3H3,(H,22,23)
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n/an/a 3.00E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25561
PNG
(2,6-Disubstituted Pyrazine, 1 | CHEMBL200114 | N-(...)
Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O4/c1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)
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n/an/a 3.50E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25593
PNG
(2,6-Disubstituted Pyrazine, 56 | 6-(isoquinolin-5-...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4cnccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N4O4/c1-27-18-9-15(10-19(28-2)22(18)29-3)25-20-12-24-13-21(26-20)30-17-6-4-5-14-11-23-8-7-16(14)17/h4-13H,1-3H3,(H,25,26)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25564
PNG
(2,6-Disubstituted Pyrazine, 6 | 3-{6-[(3,4,5-trime...)
Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(O)c2)cc(OC)c1OC
Show InChI InChI=1S/C19H19N3O4/c1-24-16-8-13(9-17(25-2)19(16)26-3)21-18-11-20-10-15(22-18)12-5-4-6-14(23)7-12/h4-11,23H,1-3H3,(H,21,22)
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n/an/a 4.00E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25575
PNG
(2,6-Disubstituted Pyrazine, 21 | 2-N-(pyridin-4-yl...)
Show SMILES COc1cc(Nc2cncc(Nc3ccncc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C18H19N5O3/c1-24-14-8-13(9-15(25-2)18(14)26-3)22-17-11-20-10-16(23-17)21-12-4-6-19-7-5-12/h4-11H,1-3H3,(H2,19,21,22,23)
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n/an/a 4.70E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25577
PNG
(2,6-Disubstituted Pyrazine, 23 | 4-({6-[(3,4,5-tri...)
Show SMILES COc1cc(Nc2cncc(Nc3ccc(O)cc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H20N4O4/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-18-11-20-10-17(23-18)21-12-4-6-14(24)7-5-12/h4-11,24H,1-3H3,(H2,21,22,23)
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n/an/a 4.90E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25604
PNG
(2,6-Disubstituted Pyrazine, 67 | N-[4-({6-[(3,4,5-...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O5/c1-13(26)23-14-5-7-16(8-6-14)30-20-12-22-11-19(25-20)24-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25587
PNG
(2,6-Disubstituted Pyrazine, 32 | 6-(1H-indol-4-ylo...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4[nH]ccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H20N4O4/c1-26-17-9-13(10-18(27-2)21(17)28-3)24-19-11-22-12-20(25-19)29-16-6-4-5-15-14(16)7-8-23-15/h4-12,23H,1-3H3,(H,24,25)
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n/an/a 7.40E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25588
PNG
(2,6-Disubstituted Pyrazine, 12 | 3-{6-[(3,4,5-trim...)
Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(c2)C#N)cc(OC)c1OC
Show InChI InChI=1S/C20H18N4O3/c1-25-17-8-15(9-18(26-2)20(17)27-3)23-19-12-22-11-16(24-19)14-6-4-5-13(7-14)10-21/h4-9,11-12H,1-3H3,(H,23,24)
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n/an/a 9.80E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25585
PNG
(2,6-Disubstituted Pyrazine, 30 | 6-(naphthalen-1-y...)
Show SMILES COc1cc(Nc2cncc(Sc3cccc4ccccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C23H21N3O3S/c1-27-18-11-16(12-19(28-2)23(18)29-3)25-21-13-24-14-22(26-21)30-20-10-6-8-15-7-4-5-9-17(15)20/h4-14H,1-3H3,(H,25,26)
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n/an/a 9.80E+3n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25591
PNG
(2,6-Disubstituted Pyrazine, 54 | 6-(quinolin-5-ylo...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4ncccc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N4O4/c1-27-18-10-14(11-19(28-2)22(18)29-3)25-20-12-23-13-21(26-20)30-17-8-4-7-16-15(17)6-5-9-24-16/h4-13H,1-3H3,(H,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25599
PNG
(2,6-Disubstituted Pyrazine, 62 | 6-(2-phenylphenox...)
Show SMILES COc1cc(Nc2cncc(Oc3ccccc3-c3ccccc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C25H23N3O4/c1-29-21-13-18(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25607
PNG
(2,6-Disubstituted Pyrazine, 71 | 6-{3-[(1Z)-1-(hyd...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc(c3)C(C)N=O)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O5/c1-13(25-26)14-6-5-7-16(8-14)30-20-12-22-11-19(24-20)23-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-13H,1-4H3,(H,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25578
PNG
(2,6-Disubstituted Pyrazine, 24 | 2-N-(3-fluorophen...)
Show SMILES COc1cc(Nc2cncc(Nc3cccc(F)c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H19FN4O3/c1-25-15-8-14(9-16(26-2)19(15)27-3)23-18-11-21-10-17(24-18)22-13-6-4-5-12(20)7-13/h4-11H,1-3H3,(H2,22,23,24)
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n/an/a 1.20E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25603
PNG
(2,6-Disubstituted Pyrazine, 66 | N-[3-({6-[(3,4,5-...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O5/c1-13(26)23-14-6-5-7-16(8-14)30-20-12-22-11-19(25-20)24-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25576
PNG
(2,6-Disubstituted Pyrazine, 22 | N-[3-({6-[(3,4,5-...)
Show SMILES COc1cc(Nc2cncc(Nc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H23N5O4/c1-13(27)23-14-6-5-7-15(8-14)24-19-11-22-12-20(26-19)25-16-9-17(28-2)21(30-4)18(10-16)29-3/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)
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n/an/a 1.40E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25567
PNG
(2,6-Disubstituted Pyrazine, 9 | ethyl 3-{6-[(3,4,5...)
Show SMILES CCOC(=O)c1cccc(c1)-c1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C22H23N3O5/c1-5-30-22(26)15-8-6-7-14(9-15)17-12-23-13-20(25-17)24-16-10-18(27-2)21(29-4)19(11-16)28-3/h6-13H,5H2,1-4H3,(H,24,25)
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n/an/a 1.40E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25583
PNG
(2,6-Disubstituted Pyrazine, 28 | 6-(pyridin-4-ylox...)
Show SMILES COc1cc(Nc2cncc(Oc3ccncc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O4/c1-23-14-8-12(9-15(24-2)18(14)25-3)21-16-10-20-11-17(22-16)26-13-4-6-19-7-5-13/h4-11H,1-3H3,(H,21,22)
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n/an/a 1.60E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25573
PNG
(2,6-Disubstituted Pyrazine, 19 | N-[4-({6-[(3,4,5-...)
Show SMILES COc1cc(Nc2cncc(Nc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H23N5O4/c1-13(27)23-14-5-7-15(8-6-14)24-19-11-22-12-20(26-19)25-16-9-17(28-2)21(30-4)18(10-16)29-3/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)
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n/an/a 1.60E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25574
PNG
(2,6-Disubstituted Pyrazine, 20 | 2-N-phenyl-6-N-(3...)
Show SMILES COc1cc(Nc2cncc(Nc3ccccc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H20N4O3/c1-24-15-9-14(10-16(25-2)19(15)26-3)22-18-12-20-11-17(23-18)21-13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,21,22,23)
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n/an/a 1.60E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25565
PNG
(2,6-Disubstituted Pyrazine, 7 | 4-{6-[(3,4,5-trime...)
Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(O)cc2)cc(OC)c1OC
Show InChI InChI=1S/C19H19N3O4/c1-24-16-8-13(9-17(25-2)19(16)26-3)21-18-11-20-10-15(22-18)12-4-6-14(23)7-5-12/h4-11,23H,1-3H3,(H,21,22)
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n/an/a 1.80E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25596
PNG
(2,6-Disubstituted Pyrazine, 59 | 4-({6-[(3,4,5-tri...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4C(=O)CCc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N3O5/c1-27-18-9-13(10-19(28-2)22(18)29-3)24-20-11-23-12-21(25-20)30-17-6-4-5-14-15(17)7-8-16(14)26/h4-6,9-12H,7-8H2,1-3H3,(H,24,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25586
PNG
(2,6-Disubstituted Pyrazine, 31 | 6-(5,6,7,8-tetrah...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4CCCCc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C23H25N3O4/c1-27-19-11-16(12-20(28-2)23(19)29-3)25-21-13-24-14-22(26-21)30-18-10-6-8-15-7-4-5-9-17(15)18/h6,8,10-14H,4-5,7,9H2,1-3H3,(H,25,26)
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n/an/a 1.80E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25579
PNG
(2,6-Disubstituted Pyrazine, 25 | 2-N-(4-fluorophen...)
Show SMILES COc1cc(Nc2cncc(Nc3ccc(F)cc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H19FN4O3/c1-25-15-8-14(9-16(26-2)19(15)27-3)23-18-11-21-10-17(24-18)22-13-6-4-12(20)5-7-13/h4-11H,1-3H3,(H2,22,23,24)
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n/an/a 1.90E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25605
PNG
(1-[3-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc(c3)C(C)=O)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H21N3O5/c1-13(25)14-6-5-7-16(8-14)29-20-12-22-11-19(24-20)23-15-9-17(26-2)21(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25563
PNG
(2,6-Disubstituted Pyrazine, 5 | 6-(pyridin-3-yl)-N...)
Show SMILES COc1cc(Nc2cncc(n2)-c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O3/c1-23-15-7-13(8-16(24-2)18(15)25-3)21-17-11-20-10-14(22-17)12-5-4-6-19-9-12/h4-11H,1-3H3,(H,21,22)
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n/an/a 2.20E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25598
PNG
(2,6-Disubstituted Pyrazine, 61 | 6-({6-[(3,4,5-tri...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc4CCC(=O)c4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N3O5/c1-27-18-8-14(9-19(28-2)22(18)29-3)24-20-11-23-12-21(25-20)30-15-6-4-13-5-7-17(26)16(13)10-15/h4,6,8-12H,5,7H2,1-3H3,(H,24,25)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25572
PNG
(N-(3-{5-[(3,4,5-trimethoxyphenyl)amino]pyridin-3-y...)
Show SMILES COc1cc(Nc2cncc(c2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
Show InChI InChI=1S/C22H23N3O4/c1-14(26)24-17-7-5-6-15(8-17)16-9-19(13-23-12-16)25-18-10-20(27-2)22(29-4)21(11-18)28-3/h5-13,25H,1-4H3,(H,24,26)
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n/an/a 2.60E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25566
PNG
((4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}...)
Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(CO)cc2)cc(OC)c1OC
Show InChI InChI=1S/C20H21N3O4/c1-25-17-8-15(9-18(26-2)20(17)27-3)22-19-11-21-10-16(23-19)14-6-4-13(12-24)5-7-14/h4-11,24H,12H2,1-3H3,(H,22,23)
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n/an/a 2.60E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25608
PNG
(2,6-Disubstituted Pyrazine, 72 | 6-{4-[(1E)-1-(hyd...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc(cc3)C(C)N=O)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O5/c1-13(25-26)14-5-7-16(8-6-14)30-20-12-22-11-19(24-20)23-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-13H,1-4H3,(H,23,24)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25594
PNG
(2,6-Disubstituted Pyrazine, 57 | 5-({6-[(3,4,5-tri...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc4C(=O)CCCc34)n2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O5/c1-28-19-10-14(11-20(29-2)23(19)30-3)25-21-12-24-13-22(26-21)31-18-9-5-6-15-16(18)7-4-8-17(15)27/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25592
PNG
(2,6-Disubstituted Pyrazine, 55 | 6-(quinolin-6-ylo...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc4ncccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N4O4/c1-27-18-10-15(11-19(28-2)22(18)29-3)25-20-12-23-13-21(26-20)30-16-6-7-17-14(9-16)5-4-8-24-17/h4-13H,1-3H3,(H,25,26)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25582
PNG
(2,6-Disubstituted Pyrazine, 27 | 6-phenoxy-N-(3,4,...)
Show SMILES COc1cc(Nc2cncc(Oc3ccccc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H19N3O4/c1-23-15-9-13(10-16(24-2)19(15)25-3)21-17-11-20-12-18(22-17)26-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,22)
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n/an/a 3.10E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25606
PNG
(1-[4-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc(cc3)C(C)=O)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H21N3O5/c1-13(25)14-5-7-16(8-6-14)29-20-12-22-11-19(24-20)23-15-9-17(26-2)21(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25602
PNG
(2,6-Disubstituted Pyrazine, 65 | 6-(3-chlorophenox...)
Show SMILES COc1cc(Nc2cncc(Oc3cccc(Cl)c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H18ClN3O4/c1-24-15-8-13(9-16(25-2)19(15)26-3)22-17-10-21-11-18(23-17)27-14-6-4-5-12(20)7-14/h4-11H,1-3H3,(H,22,23)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25589
PNG
(2,6-Disubstituted Pyrazine, 52 | 7-({6-[(3,4,5-tri...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc4CCC(=O)Oc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N3O6/c1-27-17-8-14(9-18(28-2)22(17)29-3)24-19-11-23-12-20(25-19)30-15-6-4-13-5-7-21(26)31-16(13)10-15/h4,6,8-12H,5,7H2,1-3H3,(H,24,25)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25584
PNG
(2,6-Disubstituted Pyrazine, 29 | 6-(pyridin-3-ylox...)
Show SMILES COc1cc(Nc2cncc(Oc3cccnc3)n2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O4/c1-23-14-7-12(8-15(24-2)18(14)25-3)21-16-10-20-11-17(22-16)26-13-5-4-6-19-9-13/h4-11H,1-3H3,(H,21,22)
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n/an/a 4.50E+4n/an/an/an/a7.222



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25600
PNG
(2,6-Disubstituted Pyrazine, 63 | 6-(2-fluorophenox...)
Show SMILES COc1cc(Nc2cncc(Oc3ccccc3F)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H18FN3O4/c1-24-15-8-12(9-16(25-2)19(15)26-3)22-17-10-21-11-18(23-17)27-14-7-5-4-6-13(14)20/h4-11H,1-3H3,(H,22,23)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...


J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair
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