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Found 101 hits of Enz. Inhib. data with enzyme = 'B-RAF V600E' and Substrate = 'Dual specificity mitogen-activated protein kinase kinase 1'   
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))
BDBM29709
PNG
(Pyridoimidazolone, 5i)
Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O4/c1-32-15-7-2-11(21(22,23)24)10-14(15)27-19(30)26-12-3-5-13(6-4-12)33-16-8-9-25-18-17(16)28-20(31)29-18/h2-10H,1H3,(H2,26,27,30)(H2,25,28,29,31)
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PubMed
n/an/a 12n/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))
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
B-RAF V600E


(Homo sapiens (Human))
BDBM29715
PNG
(Pyridoimidazolone, 5o)
Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccnc2[nH]c1=O
Show InChI InChI=1S/C21H15ClF3N5O3/c1-30-17-16(8-9-26-18(17)29-20(30)32)33-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(22)14(10-12)21(23,24)25/h2-10H,1H3,(H,26,29,32)(H2,27,28,31)
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n/an/a 22n/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))
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))
BDBM29710
PNG
(Pyridoimidazolone, 5j)
Show SMILES COc1cc(Cl)c(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
Show InChI InChI=1S/C21H15ClF3N5O4/c1-33-16-9-13(22)12(21(23,24)25)8-14(16)28-19(31)27-10-2-4-11(5-3-10)34-15-6-7-26-18-17(15)29-20(32)30-18/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32)
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n/an/a 27n/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))
BDBM29723
PNG
(Pyridoimidazolone, 5w)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Sc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C20H14F3N5O2S/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 28n/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))
BDBM29722
PNG
(Pyridoimidazolone, 5v)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Sc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
Show InChI InChI=1S/C20H13F4N5O2S/c21-13-6-1-10(20(22,23)24)9-14(13)27-18(30)26-11-2-4-12(5-3-11)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 29n/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))
BDBM29724
PNG
(Pyridoimidazolone, 5x)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Sc3ccnc4[nH]c(=O)[nH]c34)cc2)ccc1Cl
Show InChI InChI=1S/C20H13ClF3N5O2S/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 40n/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))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/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))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/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))
BDBM29717
PNG
(Pyridoimidazolone, 5q)
Show SMILES Cn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2[nH]c1=O
Show InChI InChI=1S/C21H15ClF3N5O3/c1-30-18-17(29-20(30)32)16(8-9-26-18)33-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(22)14(10-12)21(23,24)25/h2-10H,1H3,(H,29,32)(H2,27,28,31)
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n/an/a 45n/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))
BDBM29719
PNG
(Pyridoimidazolone, 5s)
Show SMILES Cn1c2nccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c2[nH]c1=O
Show InChI InChI=1S/C21H15F4N5O3/c1-30-18-17(29-20(30)32)16(8-9-26-18)33-13-5-3-12(4-6-13)27-19(31)28-15-10-11(21(23,24)25)2-7-14(15)22/h2-10H,1H3,(H,29,32)(H2,27,28,31)
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n/an/a 46n/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))
BDBM29711
PNG
(Pyridoimidazolone, 5k)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
Show InChI InChI=1S/C20H13F4N5O3/c21-13-6-1-10(20(22,23)24)9-14(13)27-18(30)26-11-2-4-12(5-3-11)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 52n/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))
BDBM29718
PNG
(Pyridoimidazolone, 5r)
Show SMILES Cn1c2nccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)cc3)c2[nH]c1=O
Show InChI InChI=1S/C24H25N5O3/c1-24(2,3)15-6-5-7-17(14-15)27-22(30)26-16-8-10-18(11-9-16)32-19-12-13-25-21-20(19)28-23(31)29(21)4/h5-14H,1-4H3,(H,28,31)(H2,26,27,30)
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n/an/a 60n/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))
BDBM29720
PNG
(Pyridoimidazolone, 5t)
Show SMILES Cn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2n(C)c1=O
Show InChI InChI=1S/C22H17ClF3N5O3/c1-30-18-17(9-10-27-19(18)31(2)21(30)33)34-14-6-3-12(4-7-14)28-20(32)29-13-5-8-16(23)15(11-13)22(24,25)26/h3-11H,1-2H3,(H2,28,29,32)
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n/an/a 61n/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))
BDBM29725
PNG
(Pyridoimidazolone, 26)
Show SMILES FC(F)(F)c1cc(NC(=S)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)ccc1Cl
Show InChI InChI=1S/C20H13ClF3N5O2S/c21-14-6-3-11(9-13(14)20(22,23)24)27-19(32)26-10-1-4-12(5-2-10)31-15-7-8-25-17-16(15)28-18(30)29-17/h1-9H,(H2,26,27,32)(H2,25,28,29,30)
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n/an/a 85n/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))
BDBM29716
PNG
(Pyridoimidazolone, 5p)
Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)cc3)ccnc2[nH]c1=O
Show InChI InChI=1S/C24H25N5O3/c1-24(2,3)15-6-5-7-17(14-15)27-22(30)26-16-8-10-18(11-9-16)32-19-12-13-25-21-20(19)29(4)23(31)28-21/h5-14H,1-4H3,(H,25,28,31)(H2,26,27,30)
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n/an/a 163n/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))
BDBM29721
PNG
(Pyridoimidazolone, 5u)
Show SMILES CCn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2n(CC)c1=O
Show InChI InChI=1S/C24H21ClF3N5O3/c1-3-32-20-19(11-12-29-21(20)33(4-2)23(32)35)36-16-8-5-14(6-9-16)30-22(34)31-15-7-10-18(25)17(13-15)24(26,27)28/h5-13H,3-4H2,1-2H3,(H2,30,31,34)
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n/an/a 305n/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))
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))
BDBM29713
PNG
(Pyridoimidazolone, 5m)
Show SMILES Fc1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C23H21FN6O4/c24-14-11-16(13-17(12-14)30-7-9-33-10-8-30)27-22(31)26-15-1-3-18(4-2-15)34-19-5-6-25-21-20(19)28-23(32)29-21/h1-6,11-13H,7-10H2,(H2,26,27,31)(H2,25,28,29,32)
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PubMed
n/an/a 600n/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))
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))
BDBM29738
PNG
(Pyridoimidazolone, 29b)
Show SMILES O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2[nH]1
Show InChI InChI=1S/C18H14N4O4S/c23-18-20-16-15(10-11-19-17(16)21-18)26-13-8-6-12(7-9-13)22-27(24,25)14-4-2-1-3-5-14/h1-11,22H,(H2,19,20,21,23)
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n/an/a 850n/an/an/an/an/an/a



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))
BDBM29714
PNG
(Pyridoimidazolone, 5n)
Show SMILES FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C24H21F3N6O4/c25-24(26,27)14-1-6-18(33-9-11-36-12-10-33)17(13-14)30-22(34)29-15-2-4-16(5-3-15)37-19-7-8-28-21-20(19)31-23(35)32-21/h1-8,13H,9-12H2,(H2,29,30,34)(H2,28,31,32,35)
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n/an/a 860n/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))
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))
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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PubMed
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))
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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PubMed
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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PubMed
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))
BDBM29712
PNG
(Pyridoimidazolone, 5l)
Show SMILES Fc1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C19H14FN5O3/c20-11-2-1-3-13(10-11)23-18(26)22-12-4-6-14(7-5-12)28-15-8-9-21-17-16(15)24-19(27)25-17/h1-10H,(H2,22,23,26)(H2,21,24,25,27)
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n/an/a 2.84E+3n/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))
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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PubMed
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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PubMed
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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PubMed
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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PubMed
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))
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))
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))
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))
BDBM29735
PNG
(Pyridoimidazolone, 28d)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C21H15F3N4O4/c22-21(23,24)32-15-3-1-2-12(10-15)11-17(29)26-13-4-6-14(7-5-13)31-16-8-9-25-19-18(16)27-20(30)28-19/h1-10H,11H2,(H,26,29)(H2,25,27,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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))
BDBM29736
PNG
(Pyridoimidazolone, 28e)
Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C21H15F3N4O3/c22-21(23,24)13-3-1-2-12(10-13)11-17(29)26-14-4-6-15(7-5-14)31-16-8-9-25-19-18(16)27-20(30)28-19/h1-10H,11H2,(H,26,29)(H2,25,27,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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))
BDBM29733
PNG
(Pyridoimidazolone, 28b)
Show SMILES COc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C21H18N4O4/c1-28-16-4-2-3-13(11-16)12-18(26)23-14-5-7-15(8-6-14)29-17-9-10-22-20-19(17)24-21(27)25-20/h2-11H,12H2,1H3,(H,23,26)(H2,22,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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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