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Compile Data Set for Download or QSAR

Found 2620 hits Enz. Inhib. hit(s) with Target = 'B-RAF V600E'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM35321
PNG
(aminoisoquinoline, 14)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12
Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)
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n/an/a 39n/a 44n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35322
PNG
(aminoisoquinoline, 15)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
Show InChI InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)
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n/an/a 18n/a 26n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35323
PNG
(aminoisoquinoline, 16)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc4sc(C)nc4c3)nccc12
Show InChI InChI=1S/C28H24N8S/c1-16-6-8-20-19(10-12-31-27(20)35-18-7-9-24-23(13-18)34-17(2)37-24)26(16)36-28-21(5-4-11-30-28)22-14-25(29-3)33-15-32-22/h4-15H,1-3H3,(H,30,36)(H,31,35)(H,29,32,33)
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n/an/a 110n/a 29n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35324
PNG
(aminoquinazoline, 18)
Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
Show InChI InChI=1S/C25H20ClN5/c1-15-3-9-21-20(11-12-28-24(21)30-19-7-5-18(26)6-8-19)23(15)16-4-10-22-17(13-16)14-29-25(27-2)31-22/h3-14H,1-2H3,(H,28,30)(H,27,29,31)
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n/an/a 5.40n/a 270n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35325
PNG
(aminoquinazoline, 19)
Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3cc(nn3C)C(C)(C)C)nccc12
Show InChI InChI=1S/C27H29N7/c1-16-7-9-20-19(24(16)17-8-10-21-18(13-17)15-30-26(28-5)31-21)11-12-29-25(20)32-23-14-22(27(2,3)4)33-34(23)6/h7-15H,1-6H3,(H,29,32)(H,28,30,31)
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n/an/a 70n/a 22n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35326
PNG
(aminoquinazoline, 20)
Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc4c(NC(=O)C4(C)C)c3)nccc12
Show InChI InChI=1S/C29H26N6O/c1-16-5-8-21-20(25(16)17-6-10-23-18(13-17)15-32-28(30-4)35-23)11-12-31-26(21)33-19-7-9-22-24(14-19)34-27(36)29(22,2)3/h5-15H,1-4H3,(H,31,33)(H,34,36)(H,30,32,35)
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n/an/a 21n/a 27n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35320
PNG
(aminoisoquinoline, 13)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
Show InChI InChI=1S/C26H22ClN7/c1-16-5-10-20-19(11-13-30-25(20)33-18-8-6-17(27)7-9-18)24(16)34-26-21(4-3-12-29-26)22-14-23(28-2)32-15-31-22/h3-15H,1-2H3,(H,29,34)(H,30,33)(H,28,31,32)
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n/an/a 56n/a 35n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(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/a 13n/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)
B-RAF V600E


(Homo sapiens (Human))
BDBM14971
PNG
(4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...)
Show SMILES Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-16(23(33)31-18-5-2-4-17(13-18)24(25,26)27)12-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33)
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n/an/a 0.460n/a 15n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35317
PNG
(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-7-16(22(32)30-19-5-3-4-18(12-19)24(25,26)27)11-20(14)15-8-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 1.70n/a 27n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35318
PNG
(aminoisoquinoline, 12a)
Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)
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n/an/a 17n/a 53n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35319
PNG
(aminoisoquinoline, 12b)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1
Show InChI InChI=1S/C25H19ClN6/c1-16-4-9-20-19(10-14-29-24(20)31-18-7-5-17(26)6-8-18)23(16)32-25-21(3-2-12-28-25)22-11-13-27-15-30-22/h2-15H,1H3,(H,28,32)(H,29,31)
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n/an/a 3.40n/a 34n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM35327
PNG
(pyridylpurine aminoisoquinoline, 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)
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n/an/a 1.60n/a 1.80n/an/a7.023



Amgen



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 ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM29729
PNG
(Pyridoimidazolone, 27d)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C19H13BrN4O3/c20-12-3-1-2-11(10-12)18(25)22-13-4-6-14(7-5-13)27-15-8-9-21-17-16(15)23-19(26)24-17/h1-10H,(H,22,25)(H2,21,23,24,26)
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n/an/a 1.40E+4n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
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))
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))
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))
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))
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))
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))
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))
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))
BDBM25571
PNG
(Acetamidopyrazine, 16 | N-[5-(3-acetamidophenyl)-3...)
Show SMILES COc1cc(Nc2nc(cnc2NC(C)=O)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
Show InChI InChI=1S/C23H25N5O5/c1-13(29)25-16-8-6-7-15(9-16)18-12-24-22(26-14(2)30)23(28-18)27-17-10-19(31-3)21(33-5)20(11-17)32-4/h6-12H,1-5H3,(H,25,29)(H,27,28)(H,24,26,30)
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n/an/a>1.00E+5n/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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM25581
PNG
(2,6-Disubstituted Pyrazine, 26a | 6-(naphthalen-2-...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C23H21N3O4/c1-27-19-11-17(12-20(28-2)23(19)29-3)25-21-13-24-14-22(26-21)30-18-9-8-15-6-4-5-7-16(15)10-18/h4-14H,1-3H3,(H,25,26)
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n/an/a>1.00E+5n/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))
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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PubMed
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))
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))
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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PubMed
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))
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))
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))
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))
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/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-RAF V600E


(Homo sapiens (Human))
BDBM29701
PNG
(Pyridoimidazolone, 5a)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)ccc1Cl
Show InChI InChI=1S/C20H13ClF3N5O3/c21-14-6-3-11(9-13(14)20(22,23)24)27-18(30)26-10-1-4-12(5-2-10)32-15-7-8-25-17-16(15)28-19(31)29-17/h1-9H,(H2,26,27,30)(H2,25,28,29,31)
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n/an/a 23n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM29702
PNG
(Pyridoimidazolone, 5b)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C19H15N5O3/c25-18(21-12-4-2-1-3-5-12)22-13-6-8-14(9-7-13)27-15-10-11-20-17-16(15)23-19(26)24-17/h1-11H,(H2,21,22,25)(H2,20,23,24,26)
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n/an/a>1.00E+5n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM29703
PNG
(Pyridoimidazolone, 5c)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)cc1
Show InChI InChI=1S/C19H14ClN5O3/c20-11-1-3-12(4-2-11)22-18(26)23-13-5-7-14(8-6-13)28-15-9-10-21-17-16(15)24-19(27)25-17/h1-10H,(H2,22,23,26)(H2,21,24,25,27)
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n/an/a>1.00E+5n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM29704
PNG
(Pyridoimidazolone, 5d)
Show SMILES FC(F)(F)c1cc(Cl)cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C20H13ClF3N5O3/c21-11-7-10(20(22,23)24)8-13(9-11)27-18(30)26-12-1-3-14(4-2-12)32-15-5-6-25-17-16(15)28-19(31)29-17/h1-9H,(H2,26,27,30)(H2,25,28,29,31)
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n/an/a 100n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM29705
PNG
(Pyridoimidazolone, 5e)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C20H14F3N5O3/c21-20(22,23)11-2-1-3-13(10-11)26-18(29)25-12-4-6-14(7-5-12)31-15-8-9-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
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n/an/a 14n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM29706
PNG
(Pyridoimidazolone, 5f)
Show SMILES FC(F)(F)c1ccccc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C20H14F3N5O3/c21-20(22,23)13-3-1-2-4-14(13)26-18(29)25-11-5-7-12(8-6-11)31-15-9-10-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
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n/an/a>1.00E+5n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM29707
PNG
(Pyridoimidazolone, 5g)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)cc1
Show InChI InChI=1S/C20H14F3N5O3/c21-20(22,23)11-1-3-12(4-2-11)25-18(29)26-13-5-7-14(8-6-13)31-15-9-10-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
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n/an/a>1.00E+5n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM29708
PNG
(Pyridoimidazolone, 5h)
Show SMILES FC(F)(F)Oc1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C20H14F3N5O4/c21-20(22,23)32-14-3-1-2-12(10-14)26-18(29)25-11-4-6-13(7-5-11)31-15-8-9-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
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n/an/a 21n/an/an/an/a7.222



The Institute of Cancer Research



Assay Description
The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inh...


J Med Chem 52: 2255-64 (2009)


Article DOI: 10.1021/jm801509w
BindingDB Entry DOI: 10.7270/Q2PK0DGX
More data for this
Ligand-Target Pair
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