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12 molecules are shown

Wt: 461.8
BDBM17678
Purchase
Wt: 393.8
BDBM26008
Wt: 427.3
BDBM26014
Wt: 427.3
BDBM26015
Wt: 427.3
BDBM26016
Wt: 475.8
BDBM26020
Wt: 441.4
BDBM26025
Wt: 463.7
BDBM29701
Wt: 463.7
BDBM29704
Wt: 493.8
BDBM29710
Wt: 477.8
BDBM29715
Wt: 491.8
BDBM29720

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 17678,26008,26014,26015,26016,26020,26025,29701,29704,29710,29715,29720   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM17678
PNG
(2-aminobenzimidazole, 3 | 4-[(2-{[4-chloro-3-(trif...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)
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Article
PubMed
9 -10.9n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-RAF


(Homo sapiens (human))
BDBM17678
PNG
(2-aminobenzimidazole, 3 | 4-[(2-{[4-chloro-3-(trif...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)
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n/an/a 76n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM26014
PNG
(N-methyl-4-[(2-{[2-(trifluoromethyl)phenyl]amino}-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-13(8-9-26-18)31-12-6-7-16-17(10-12)29-20(28-16)27-15-5-3-2-4-14(15)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 950n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM26015
PNG
(N-methyl-4-[(2-{[3-(trifluoromethyl)phenyl]amino}-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(7-8-26-18)31-14-5-6-16-17(10-14)29-20(28-16)27-13-4-2-3-12(9-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 56n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM26016
PNG
(N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(8-9-26-18)31-14-6-7-16-17(10-14)29-20(28-16)27-13-4-2-12(3-5-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 20n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM26020
PNG
(4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl](methyl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Cl)c(c4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H17ClF3N5O2/c1-27-20(32)18-11-14(7-8-28-18)33-13-4-6-19-17(10-13)30-21(31(19)2)29-12-3-5-16(23)15(9-12)22(24,25)26/h3-11H,1-2H3,(H,27,32)(H,29,30)
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n/an/a 15n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM26025
PNG
(N-methyl-4-[(2-{methyl[3-(trifluoromethyl)phenyl]a...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)
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n/an/a 6n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM26008
PNG
(4-{4-[(5-chloro-1H-1,3-benzodiazol-2-yl)amino]phen...)
Show SMILES CNC(=O)c1cc(Oc2ccc(Nc3nc4ccc(Cl)cc4[nH]3)cc2)ccn1
Show InChI InChI=1S/C20H16ClN5O2/c1-22-19(27)18-11-15(8-9-23-18)28-14-5-3-13(4-6-14)24-20-25-16-7-2-12(21)10-17(16)26-20/h2-11H,1H3,(H,22,27)(H2,24,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM17678
PNG
(2-aminobenzimidazole, 3 | 4-[(2-{[4-chloro-3-(trif...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)
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n/an/a 280n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM26014
PNG
(N-methyl-4-[(2-{[2-(trifluoromethyl)phenyl]amino}-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-13(8-9-26-18)31-12-6-7-16-17(10-12)29-20(28-16)27-15-5-3-2-4-14(15)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM26015
PNG
(N-methyl-4-[(2-{[3-(trifluoromethyl)phenyl]amino}-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(7-8-26-18)31-14-5-6-16-17(10-14)29-20(28-16)27-13-4-2-3-12(9-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 300n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM26016
PNG
(N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(8-9-26-18)31-14-6-7-16-17(10-14)29-20(28-16)27-13-4-2-12(3-5-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 11n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM26020
PNG
(4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl](methyl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Cl)c(c4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H17ClF3N5O2/c1-27-20(32)18-11-14(7-8-28-18)33-13-4-6-19-17(10-13)30-21(31(19)2)29-12-3-5-16(23)15(9-12)22(24,25)26/h3-11H,1-2H3,(H,27,32)(H,29,30)
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n/an/a 28n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM26025
PNG
(N-methyl-4-[(2-{methyl[3-(trifluoromethyl)phenyl]a...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
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))
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))
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))
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))
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
C-RAF


(Homo sapiens (human))
BDBM26008
PNG
(4-{4-[(5-chloro-1H-1,3-benzodiazol-2-yl)amino]phen...)
Show SMILES CNC(=O)c1cc(Oc2ccc(Nc3nc4ccc(Cl)cc4[nH]3)cc2)ccn1
Show InChI InChI=1S/C20H16ClN5O2/c1-22-19(27)18-11-15(8-9-23-18)28-14-5-3-13(4-6-14)24-20-25-16-7-2-12(21)10-17(16)26-20/h2-11H,1H3,(H,22,27)(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair