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PubMed code 27288186

Compile data set for download or QSAR
Found 29 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


(Homo sapiens (Human))		BDBM104963
PNG
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r|
Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179651
PNG
(CHEMBL3814978)
Show SMILES CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1F
Show InChI InChI=1S/C19H19FN4O7S/c1-21-32(28,29)22-14-6-4-5-11(16(14)20)10-24-17(25)13-8-7-12(30-18(26)23(2)3)9-15(13)31-19(24)27/h4-9,21-22H,10H2,1-3H3
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n/an/a 55n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179615
PNG
(CHEMBL3814173)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCCC#N)c1F)c2=O
Show InChI InChI=1S/C21H20FN5O7S/c1-26(2)20(29)33-14-7-8-15-17(11-14)34-21(30)27(19(15)28)12-13-5-3-6-16(18(13)22)25-35(31,32)24-10-4-9-23/h3,5-8,11,24-25H,4,10,12H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179765
PNG
(CHEMBL3814830)
Show SMILES CCS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1F
Show InChI InChI=1S/C20H20FN3O7S/c1-4-32(28,29)22-15-7-5-6-12(17(15)21)11-24-18(25)14-9-8-13(30-19(26)23(2)3)10-16(14)31-20(24)27/h5-10,22H,4,11H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179531
PNG
(CHEMBL3815096)
Show SMILES CC(C)NS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1F
Show InChI InChI=1S/C21H23FN4O7S/c1-12(2)23-34(30,31)24-16-7-5-6-13(18(16)22)11-26-19(27)15-9-8-14(32-20(28)25(3)4)10-17(15)33-21(26)29/h5-10,12,23-24H,11H2,1-4H3
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n/an/a 210n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179525
PNG
(CHEMBL3813945)
Show SMILES CCC(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NC)c1F)c2=O
Show InChI InChI=1S/C19H18FN3O7S/c1-3-16(24)29-12-7-8-13-15(9-12)30-19(26)23(18(13)25)10-11-5-4-6-14(17(11)20)22-31(27,28)21-2/h4-9,21-22H,3,10H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 250n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179901
PNG
(CHEMBL3814531)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(C)(=O)=O)c1F)c2=O
Show InChI InChI=1S/C19H18FN3O7S/c1-22(2)18(25)29-12-7-8-13-15(9-12)30-19(26)23(17(13)24)10-11-5-4-6-14(16(11)20)21-31(3,27)28/h4-9,21H,10H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179990
PNG
(CHEMBL78779)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C20H18FNO4/c1-12-16-9-8-15(25-20(24)22(2)3)11-18(16)26-19(23)17(12)10-13-4-6-14(21)7-5-13/h4-9,11H,10H2,1-3H3
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n/an/a 320n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179650
PNG
(CHEMBL3814582)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCC(F)(F)F)c1F)c2=O
Show InChI InChI=1S/C20H18F4N4O7S/c1-27(2)18(30)34-12-6-7-13-15(8-12)35-19(31)28(17(13)29)9-11-4-3-5-14(16(11)21)26-36(32,33)25-10-20(22,23)24/h3-8,25-26H,9-10H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179524
PNG
(CHEMBL3814543)
Show SMILES CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(C)=O)ccc3c2=O)c1F
Show InChI InChI=1S/C18H16FN3O7S/c1-10(23)28-12-6-7-13-15(8-12)29-18(25)22(17(13)24)9-11-4-3-5-14(16(11)19)21-30(26,27)20-2/h3-8,20-21H,9H2,1-2H3
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n/an/a 610n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179528
PNG
(CHEMBL3814118)
Show SMILES CCS(=O)(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NC)c1F)c2=O
Show InChI InChI=1S/C18H18FN3O8S2/c1-3-31(25,26)30-12-7-8-13-15(9-12)29-18(24)22(17(13)23)10-11-5-4-6-14(16(11)19)21-32(27,28)20-2/h4-9,20-21H,3,10H2,1-2H3
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n/an/a 670n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179526
PNG
(CHEMBL3814233)
Show SMILES CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)C(C)C)ccc3c2=O)c1F
Show InChI InChI=1S/C20H20FN3O7S/c1-11(2)19(26)30-13-7-8-14-16(9-13)31-20(27)24(18(14)25)10-12-5-4-6-15(17(12)21)23-32(28,29)22-3/h4-9,11,22-23H,10H2,1-3H3
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n/an/a 720n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179759
PNG
(CHEMBL3814609)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(N)(=O)=O)c1F)c2=O
Show InChI InChI=1S/C18H17FN4O7S/c1-22(2)17(25)29-11-6-7-12-14(8-11)30-18(26)23(16(12)24)9-10-4-3-5-13(15(10)19)21-31(20,27)28/h3-8,21H,9H2,1-2H3,(H2,20,27,28)
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n/an/a 840n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179523
PNG
(CHEMBL3815032)
Show SMILES CCCC(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NC)c1F)c2=O
Show InChI InChI=1S/C20H20FN3O7S/c1-3-5-17(25)30-13-8-9-14-16(10-13)31-20(27)24(19(14)26)11-12-6-4-7-15(18(12)21)23-32(28,29)22-2/h4,6-10,22-23H,3,5,11H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179529
PNG
(CHEMBL3814639)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCc3ccccc3)c1F)c2=O
Show InChI InChI=1S/C25H23FN4O7S/c1-29(2)24(32)36-18-11-12-19-21(13-18)37-25(33)30(23(19)31)15-17-9-6-10-20(22(17)26)28-38(34,35)27-14-16-7-4-3-5-8-16/h3-13,27-28H,14-15H2,1-2H3
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n/an/a 1.49E+3n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179530
PNG
(CHEMBL3814758)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)Nc3ccccc3)c1F)c2=O
Show InChI InChI=1S/C24H21FN4O7S/c1-28(2)23(31)35-17-11-12-18-20(13-17)36-24(32)29(22(18)30)14-15-7-6-10-19(21(15)25)27-37(33,34)26-16-8-4-3-5-9-16/h3-13,26-27H,14H2,1-2H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179527
PNG
(CHEMBL3814868)
Show SMILES CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OS(C)(=O)=O)ccc3c2=O)c1F
Show InChI InChI=1S/C17H16FN3O8S2/c1-19-31(26,27)20-13-5-3-4-10(15(13)18)9-21-16(22)12-7-6-11(29-30(2,24)25)8-14(12)28-17(21)23/h3-8,19-20H,9H2,1-2H3
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n/an/a 2.54E+3n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179913
PNG
(CHEMBL3814049)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(C)(=O)=O)c1)c2=O
Show InChI InChI=1S/C19H19N3O7S/c1-21(2)18(24)28-14-7-8-15-16(10-14)29-19(25)22(17(15)23)11-12-5-4-6-13(9-12)20-30(3,26)27/h4-10,20H,11H2,1-3H3
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n/an/a 5.92E+3n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179900
PNG
(CHEMBL3815083)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1ccc(F)c(NS(C)(=O)=O)c1)c2=O
Show InChI InChI=1S/C19H18FN3O7S/c1-22(2)18(25)29-12-5-6-13-16(9-12)30-19(26)23(17(13)24)10-11-4-7-14(20)15(8-11)21-31(3,27)28/h4-9,21H,10H2,1-3H3
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n/an/a 9.87E+3n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179832
PNG
(CHEMBL3814281)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NC(C)=O)c1)c2=O
Show InChI InChI=1S/C20H19N3O6/c1-12(24)21-14-6-4-5-13(9-14)11-23-18(25)16-8-7-15(28-19(26)22(2)3)10-17(16)29-20(23)27/h4-10H,11H2,1-3H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179521
PNG
(CHEMBL3814031)
Show SMILES CS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)c1F
Show InChI InChI=1S/C23H17FN2O7S/c1-34(30,31)25-18-9-5-8-15(20(18)24)13-26-21(27)17-11-10-16(12-19(17)33-23(26)29)32-22(28)14-6-3-2-4-7-14/h2-12,25H,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179831
PNG
(CHEMBL3814347)
Show SMILES CN(C)C(=O)Oc1ccc2oc(=O)n(Cc3cccc(NS(C)(=O)=O)c3F)c(=O)c2c1
Show InChI InChI=1S/C19H18FN3O7S/c1-22(2)18(25)29-12-7-8-15-13(9-12)17(24)23(19(26)30-15)10-11-5-4-6-14(16(11)20)21-31(3,27)28/h4-9,21H,10H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179914
PNG
(CHEMBL3814534)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(c1)[N+]([O-])=O)c2=O
Show InChI InChI=1S/C18H15N3O7/c1-19(2)17(23)27-13-6-7-14-15(9-13)28-18(24)20(16(14)22)10-11-4-3-5-12(8-11)21(25)26/h3-9H,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179988
PNG
(CHEMBL3814261)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1ccc(F)cc1)c2=O
Show InChI InChI=1S/C18H15FN2O5/c1-20(2)17(23)25-13-7-8-14-15(9-13)26-18(24)21(16(14)22)10-11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179522
PNG
(CHEMBL3814289)
Show SMILES COc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCCC#N)c1F)c2=O
Show InChI InChI=1S/C19H17FN4O6S/c1-29-13-6-7-14-16(10-13)30-19(26)24(18(14)25)11-12-4-2-5-15(17(12)20)23-31(27,28)22-9-3-8-21/h2,4-7,10,22-23H,3,9,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179902
PNG
(CHEMBL3814188)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C19H19N3O7S/c1-21(2)18(24)28-14-8-9-15-16(10-14)29-19(25)22(17(15)23)11-12-4-6-13(7-5-12)20-30(3,26)27/h4-10,20H,11H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179910
PNG
(CHEMBL3814720)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1ccccc1NS(C)(=O)=O)c2=O
Show InChI InChI=1S/C19H19N3O7S/c1-21(2)18(24)28-13-8-9-14-16(10-13)29-19(25)22(17(14)23)11-12-6-4-5-7-15(12)20-30(3,26)27/h4-10,20H,11H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50179989
PNG
(CHEMBL3814337)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1ccccc1F)c2=O
Show InChI InChI=1S/C18H15FN2O5/c1-20(2)17(23)25-12-7-8-13-15(9-12)26-18(24)21(16(13)22)10-11-5-3-4-6-14(11)19/h3-9H,10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%