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PubMed code 19323560

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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)
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29742
PNG
(Pyridoimidazolone, 29f)
Show SMILES O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4cccs4)cc3)c2[nH]1
Show InChI InChI=1S/C16H12N4O4S2/c21-16-18-14-12(7-8-17-15(14)19-16)24-11-5-3-10(4-6-11)20-26(22,23)13-2-1-9-25-13/h1-9,20H,(H2,17,18,19,21)
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n/an/a 1.22E+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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29727
PNG
(Pyridoimidazolone, 27b)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C20H12ClF3N4O3/c21-14-6-1-10(9-13(14)20(22,23)24)18(29)26-11-2-4-12(5-3-11)31-15-7-8-25-17-16(15)27-19(30)28-17/h1-9H,(H,26,29)(H2,25,27,28,30)
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n/an/a 1.59E+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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29732
PNG
(Pyridoimidazolone, 28a)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C20H16N4O3/c25-17(12-13-4-2-1-3-5-13)22-14-6-8-15(9-7-14)27-16-10-11-21-19-18(16)23-20(26)24-19/h1-11H,12H2,(H,22,25)(H2,21,23,24,26)
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n/an/a 1.67E+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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29728
PNG
(Pyridoimidazolone, 27c)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C20H13F3N4O3/c21-20(22,23)12-3-1-2-11(10-12)18(28)25-13-4-6-14(7-5-13)30-15-8-9-24-17-16(15)26-19(29)27-17/h1-10H,(H,25,28)(H2,24,26,27,29)
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n/an/a 1.72E+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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29743
PNG
(Pyridoimidazolone, 29g)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C18H13FN4O4S/c19-13-3-1-2-4-15(13)28(25,26)23-11-5-7-12(8-6-11)27-14-9-10-20-17-16(14)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24)
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n/an/a 3.25E+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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29730
PNG
(Pyridoimidazolone, 27e)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C20H16N4O4/c1-27-15-4-2-3-12(11-15)19(25)22-13-5-7-14(8-6-13)28-16-9-10-21-18-17(16)23-20(26)24-18/h2-11H,1H3,(H,22,25)(H2,21,23,24,26)
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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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29731
PNG
(Pyridoimidazolone, 27f)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)N1CCOCC1
Show InChI InChI=1S/C23H20FN5O4/c24-15-11-14(12-17(13-15)29-7-9-32-10-8-29)22(30)26-16-1-3-18(4-2-16)33-19-5-6-25-21-20(19)27-23(31)28-21/h1-6,11-13H,7-10H2,(H,26,30)(H2,25,27,28,31)
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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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29726
PNG
(Pyridoimidazolone, 27a)
Show SMILES O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c24-18(12-4-2-1-3-5-12)21-13-6-8-14(9-7-13)26-15-10-11-20-17-16(15)22-19(25)23-17/h1-11H,(H,21,24)(H2,20,22,23,25)
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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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29737
PNG
(Pyridoimidazolone, 29a)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C19H12ClF3N4O4S/c20-14-6-5-12(9-13(14)19(21,22)23)32(29,30)27-10-1-3-11(4-2-10)31-15-7-8-24-17-16(15)25-18(28)26-17/h1-9,27H,(H2,24,25,26,28)
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n/an/a>1.00E+5n/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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29734
PNG
(Pyridoimidazolone, 28c)
Show SMILES Fc1cc(F)cc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
Show InChI InChI=1S/C20H14F2N4O3/c21-12-7-11(8-13(22)10-12)9-17(27)24-14-1-3-15(4-2-14)29-16-5-6-23-19-18(16)25-20(28)26-19/h1-8,10H,9H2,(H,24,27)(H2,23,25,26,28)
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n/an/a>1.00E+5n/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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29740
PNG
(Pyridoimidazolone, 29d)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C19H13F3N4O4S/c20-19(21,22)11-1-7-14(8-2-11)31(28,29)26-12-3-5-13(6-4-12)30-15-9-10-23-17-16(15)24-18(27)25-17/h1-10,26H,(H2,23,24,25,27)
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n/an/a>1.00E+5n/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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29739
PNG
(Pyridoimidazolone, 29c)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C18H13ClN4O4S/c19-11-1-7-14(8-2-11)28(25,26)23-12-3-5-13(6-4-12)27-15-9-10-20-17-16(15)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24)
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n/an/a>1.00E+5n/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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM29741
PNG
(Pyridoimidazolone, 29e)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C18H13FN4O4S/c19-11-1-7-14(8-2-11)28(25,26)23-12-3-5-13(6-4-12)27-15-9-10-20-17-16(15)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24)
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n/an/a>1.00E+5n/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
* indicates data uncertainty>20%