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Compile Data Set for Download or QSAR

Found 6112 hits Enz. Inhib. hit(s) with Target = 'RAF serine/threonine protein kinase'   
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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50029085
PNG
(CHEBI:83405 | CHEMBL525191 | GDC-0879)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
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0.130n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Bioorg Med Chem 22: 6201-8 (2014)


Article DOI: 10.1016/j.bmc.2014.08.029
BindingDB Entry DOI: 10.7270/Q2RB7658
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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0.160n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-6 tagged human B-Raf expressed in baculovirus infected insect Sf9 cells


Bioorg Med Chem Lett 22: 789-92 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.060
BindingDB Entry DOI: 10.7270/Q2SQ90VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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0.160n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of BRAF


Bioorg Med Chem 20: 3746-55 (2012)


Article DOI: 10.1016/j.bmc.2012.04.047
BindingDB Entry DOI: 10.7270/Q2QF8TXP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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0.160 -58.2n/an/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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0.170n/an/an/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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0.300n/an/an/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


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



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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2.60n/an/an/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(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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22n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Chem Biol 12: 621-37 (2005)


Article DOI: 10.1016/j.chembiol.2005.04.011
BindingDB Entry DOI: 10.7270/Q2R49RR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(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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38 -44.1n/an/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25381
PNG
(1,7-dibenzyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl...)
Show SMILES Cn1c2nc(SCCO)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H22N4O3S/c1-24-19-18(20(28)26(22(24)29)15-17-10-6-3-7-11-17)25(21(23-19)30-13-12-27)14-16-8-4-2-5-9-16/h2-11,27H,12-15H2,1H3
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106 -41.4 1.72E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...


J Med Chem 51: 6121-7 (2008)


Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87369
PNG
(US9694016, 704)
Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1C)N1CCOCC1
Show InChI InChI=1S/C25H29N5O4S/c1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 0.0200n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25619
PNG
((1Z)-5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O/c1-22-11-16(18(20-22)12-6-8-19-9-7-12)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3
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n/an/a 0.0200n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50006650
PNG
(CHEMBL526479)
Show SMILES O\N=C1/CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24,28H,2,4,7-8,11-12H2/b26-21+
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n/an/a 0.0300n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin)


Eur J Med Chem 72: 170-205 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.018
BindingDB Entry DOI: 10.7270/Q2F1917Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25636
PNG
((1Z)-5-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyr...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21,24H,2,4,7-8,11-12H2
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n/an/a 0.0300n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25625
PNG
((1S,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r|
Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19+,22?/m1/s1
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n/an/a 0.0400n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25629
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O2/c25-11-1-10-24-13-18(20(22-24)14-6-8-21-9-7-14)16-2-4-17-15(12-16)3-5-19(17)23-26/h2,4,6-9,12-13,19,25H,1,3,5,10-11H2
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n/an/a 0.0500n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103702
PNG
(US8563553, 127)
Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(NCCC#N)n2)C2CC2)c1F
Show InChI InChI=1S/C20H19ClFN7O2S/c1-32(30,31)29-15-10-12(21)9-13(16(15)22)17-18(28-19(27-17)11-3-4-11)14-5-8-25-20(26-14)24-7-2-6-23/h5,8-11,29H,2-4,7H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 0.0800n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103683
PNG
(US8563553, 108)
Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(N)n2)C(C)(C)C)c1F
Show InChI InChI=1S/C20H24ClFN6O2S/c1-5-8-31(29,30)28-14-10-11(21)9-12(15(14)22)16-17(13-6-7-24-19(23)25-13)27-18(26-16)20(2,3)4/h6-7,9-10,28H,5,8H2,1-4H3,(H,26,27)(H2,23,24,25)
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25626
PNG
((1R,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r|
Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19-,22?/m1/s1
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n/an/a 0.0900n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103681
PNG
(US8563553, 106)
Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)c2c(F)cccc2F)c1F)C1CC1
Show InChI InChI=1S/C22H16ClF3N6O2S/c23-11-8-12(17(26)16(9-11)32-35(33,34)20-13(24)2-1-3-14(20)25)18-19(15-6-7-28-22(27)29-15)31-21(30-18)10-4-5-10/h1-3,6-10,32H,4-5H2,(H,30,31)(H2,27,28,29)
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103684
PNG
(US8563553, 109)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)C1CC1 |r|
Show InChI InChI=1S/C27H25ClF3N7O4S/c1-13(34-27(39)42-2)12-33-26-32-9-8-19(35-26)23-22(36-25(37-23)14-6-7-14)16-10-15(29)11-20(21(16)28)38-43(40,41)24-17(30)4-3-5-18(24)31/h3-5,8-11,13-14,38H,6-7,12H2,1-2H3,(H,34,39)(H,36,37)(H,32,33,35)/t13-/m0/s1
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103628
PNG
(US8563553, 53)
Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)(C)C |r|
Show InChI InChI=1S/C25H34ClN7O4S/c1-7-10-38(35,36)33-18-12-16(11-17(26)13-18)20-21(32-22(31-20)25(3,4)5)19-8-9-27-23(30-19)28-14-15(2)29-24(34)37-6/h8-9,11-13,15,33H,7,10,14H2,1-6H3,(H,29,34)(H,31,32)(H,27,28,30)/t15-/m0/s1
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50139058
PNG
(CHEMBL3752213)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC[C@H](C)NC(=O)OC)cc2cc1OC |r,wU:23.24,(-13.09,.93,;-12.02,1.55,;-10.69,.78,;-9.35,1.54,;-9.35,2.78,;-8.28,2.16,;-8.02,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-4.01,1.54,;-5.35,.77,;-5.35,-.46,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;6.67,-2.76,;8,-.76,;9.34,-1.53,;9.34,-2.76,;10.67,-.75,;11.74,-1.37,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-2.77,)|
Show InChI InChI=1/C24H28F2N4O5S/c1-5-8-36(32,33)30-19-7-6-18(25)22(23(19)26)17-9-16-13-28-21(11-15(16)10-20(17)34-3)27-12-14(2)29-24(31)35-4/h6-7,9-11,13-14,30H,5,8,12H2,1-4H3,(H,27,28)(H,29,31)/t14-/s2
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Shanghai Hengrui Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant (unknown origin) by lantha screen assay


Bioorg Med Chem Lett 26: 819-23 (2016)


BindingDB Entry DOI: 10.7270/Q2W097S9
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103632
PNG
(US8563553, 57)
Show SMILES CCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)(C)C |r|
Show InChI InChI=1S/C24H32ClN7O4S/c1-7-37(34,35)32-17-11-15(10-16(25)12-17)19-20(31-21(30-19)24(3,4)5)18-8-9-26-22(29-18)27-13-14(2)28-23(33)36-6/h8-12,14,32H,7,13H2,1-6H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026212
PNG
(CHEMBL1276185)
Show SMILES [H][C@]12CN(c3ccc(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3ccc(F)c4[nH]ncc34)[C@]([H])(CN1C)C2 |r,wU:36.42,1.0,(5.96,-12.33,;4.87,-13.43,;4.88,-14.97,;3.54,-15.75,;3.55,-17.28,;4.89,-18.05,;4.89,-19.59,;3.56,-20.36,;2.23,-19.6,;.9,-20.38,;2.22,-18.06,;3.57,-21.9,;2.24,-22.67,;2.24,-24.21,;3.57,-24.98,;4.91,-24.21,;6.38,-24.69,;7.29,-23.44,;6.38,-22.18,;4.91,-22.66,;8.83,-23.43,;9.6,-24.77,;11.14,-24.77,;11.91,-23.43,;11.13,-22.09,;9.6,-22.1,;6.86,-26.15,;8.36,-26.47,;8.84,-27.93,;7.81,-29.09,;8.29,-30.55,;6.3,-28.76,;5.05,-29.66,;3.81,-28.75,;4.3,-27.29,;5.83,-27.3,;2.21,-14.99,;.66,-14.98,;2.2,-13.45,;3.53,-12.67,;3.53,-11.12,;3.29,-13.89,)|
Show InChI InChI=1/C30H24F2N8/c1-38-15-20-12-19(38)16-39(20)18-2-3-22(25(32)13-18)26-8-11-34-30-27(21-4-5-24(31)29-23(21)14-35-36-29)28(37-40(26)30)17-6-9-33-10-7-17/h2-11,13-14,19-20H,12,15-16H2,1H3,(H,35,36)/t19-,20-/s2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026207
PNG
(CHEMBL1276170)
Show SMILES [H][C@]12CN(c3ccc(c(Cl)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc4[nH]ncc34)[C@]([H])(CN1C)C2 |r,wU:35.41,1.0,(38.98,4.96,;37.9,3.86,;37.9,2.32,;36.57,1.54,;36.58,.01,;37.92,-.76,;37.92,-2.3,;36.58,-3.07,;35.25,-2.31,;33.92,-3.09,;35.24,-.77,;36.59,-4.61,;35.26,-5.38,;35.26,-6.93,;36.6,-7.7,;37.93,-6.92,;39.41,-7.4,;40.32,-6.15,;39.41,-4.89,;37.93,-5.37,;41.86,-6.14,;42.63,-7.48,;44.17,-7.48,;44.94,-6.15,;44.16,-4.81,;42.62,-4.81,;39.88,-8.87,;41.39,-9.18,;41.87,-10.64,;40.83,-11.8,;39.32,-11.48,;38.08,-12.37,;36.84,-11.46,;37.32,-10.01,;38.86,-10.01,;35.24,2.3,;33.69,2.3,;35.22,3.84,;36.56,4.62,;36.55,6.17,;36.32,3.4,)|
Show InChI InChI=1/C30H25ClN8/c1-37-16-21-13-20(37)17-38(21)19-5-6-23(25(31)14-19)27-9-12-33-30-28(22-3-2-4-26-24(22)15-34-35-26)29(36-39(27)30)18-7-10-32-11-8-18/h2-12,14-15,20-21H,13,16-17H2,1H3,(H,34,35)/t20-,21-/s2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103629
PNG
(US8563553, 54)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C2CC2)c1)C(C)(C)C |r|
Show InChI InChI=1S/C25H32ClN7O4S/c1-14(29-24(34)37-5)13-28-23-27-9-8-19(30-23)21-20(31-22(32-21)25(2,3)4)15-10-16(26)12-17(11-15)33-38(35,36)18-6-7-18/h8-12,14,18,33H,6-7,13H2,1-5H3,(H,29,34)(H,31,32)(H,27,28,30)/t14-/m0/s1
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n/an/a 0.100n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103677
PNG
(US8563553, 102)
Show SMILES CC1(CC1)c1nc(c([nH]1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NCCC#N)n1
Show InChI InChI=1S/C21H21ClFN7O2S/c1-21(5-6-21)19-28-17(13-10-12(22)11-15(16(13)23)30-33(2,31)32)18(29-19)14-4-9-26-20(27-14)25-8-3-7-24/h4,9-11,30H,3,5-6,8H2,1-2H3,(H,28,29)(H,25,26,27)
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50330925
PNG
(7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12 |r,wU:3.3,5.4,(16.85,-11.72,;16.86,-13.27,;15.53,-14.05,;15.54,-15.59,;16.62,-14.49,;18.2,-14.03,;18.21,-15.57,;16.87,-16.35,;16.88,-17.88,;15.54,-18.66,;15.55,-20.2,;14.22,-20.98,;16.89,-20.96,;18.22,-20.19,;19.56,-20.96,;18.22,-18.65,;16.9,-22.5,;15.57,-23.27,;15.57,-24.82,;16.9,-25.59,;18.24,-24.81,;19.71,-25.29,;20.62,-24.04,;19.71,-22.78,;18.23,-23.26,;22.16,-24.03,;22.93,-25.37,;24.47,-25.37,;25.24,-24.04,;24.46,-22.7,;22.92,-22.7,;20.19,-26.76,;21.69,-27.07,;22.17,-28.53,;21.14,-29.69,;21.62,-31.15,;19.63,-29.37,;18.38,-30.26,;17.14,-29.36,;17.62,-27.9,;19.16,-27.9,)|
Show InChI InChI=1S/C30H23F3N8/c1-39-14-19-10-18(39)15-40(19)17-11-23(32)27(24(33)12-17)25-6-9-35-30-26(20-2-3-22(31)29-21(20)13-36-37-29)28(38-41(25)30)16-4-7-34-8-5-16/h2-9,11-13,18-19H,10,14-15H2,1H3,(H,36,37)/t18-,19-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103699
PNG
(US8563553, 124)
Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(NC)n2)C2CC2)c1Cl
Show InChI InChI=1S/C20H22ClFN6O2S/c1-3-8-31(29,30)28-15-10-12(22)9-13(16(15)21)17-18(27-19(26-17)11-4-5-11)14-6-7-24-20(23-2)25-14/h6-7,9-11,28H,3-5,8H2,1-2H3,(H,26,27)(H,23,24,25)
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103723
PNG
(US8563553, 148)
Show SMILES CCCS(=O)(=O)Nc1c(F)ccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)(C)C)c1F |r|
Show InChI InChI=1S/C25H33F2N7O4S/c1-7-12-39(36,37)34-20-16(26)9-8-15(18(20)27)19-21(33-22(32-19)25(3,4)5)17-10-11-28-23(31-17)29-13-14(2)30-24(35)38-6/h8-11,14,34H,7,12-13H2,1-6H3,(H,30,35)(H,32,33)(H,28,29,31)/t14-/m0/s1
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103680
PNG
(US8563553, 105)
Show SMILES CC(C)(C)c1nc(c([nH]1)-c1cc(Cl)cc(NS(=O)(=O)c2c(F)cccc2F)c1F)-c1ccnc(N)n1
Show InChI InChI=1S/C23H20ClF3N6O2S/c1-23(2,3)21-31-18(19(32-21)15-7-8-29-22(28)30-15)12-9-11(24)10-16(17(12)27)33-36(34,35)20-13(25)5-4-6-14(20)26/h4-10,33H,1-3H3,(H,31,32)(H2,28,29,30)
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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n/an/a 0.130n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103721
PNG
(US8563553, 146)
Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NCCC#N)n2)C2CC2)c1F
Show InChI InChI=1S/C22H24FN7O2S/c1-2-13-33(31,32)30-16-6-3-5-15(18(16)23)19-20(29-21(28-19)14-7-8-14)17-9-12-26-22(27-17)25-11-4-10-24/h3,5-6,9,12,14,30H,2,4,7-8,11,13H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 0.130n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103715
PNG
(US8563553, 140)
Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1Cl |r|
Show InChI InChI=1S/C24H30ClN7O4S/c1-4-12-37(34,35)32-17-7-5-6-16(19(17)25)20-21(31-22(30-20)15-8-9-15)18-10-11-26-23(29-18)27-13-14(2)28-24(33)36-3/h5-7,10-11,14-15,32H,4,8-9,12-13H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1
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n/an/a 0.130n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25618
PNG
((1Z)-5-[3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihy...)
Show SMILES O=NC1CCc2cc(ccc12)-c1c[nH]nc1-c1ccncc1
Show InChI InChI=1S/C17H14N4O/c22-21-16-4-2-12-9-13(1-3-14(12)16)15-10-19-20-17(15)11-5-7-18-8-6-11/h1,3,5-10,16H,2,4H2,(H,19,20)
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n/an/a 0.150n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM202851
PNG
(US9242969, 204 | US9694016, 829)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C25H21F3N4O2S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,29,33)
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n/an/a 0.152n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...


US Patent US9242969 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1QXT
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50330905
PNG
(7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(24.13,-33.61,;24.13,-35.15,;22.8,-35.94,;22.81,-37.47,;23.89,-36.37,;25.47,-35.92,;25.48,-37.46,;24.14,-38.23,;24.15,-39.77,;22.82,-40.55,;22.83,-42.09,;21.5,-42.86,;24.16,-42.85,;25.5,-42.07,;26.83,-42.84,;25.49,-40.53,;24.17,-44.38,;22.84,-45.15,;22.84,-46.7,;24.17,-47.47,;25.51,-46.7,;26.98,-47.18,;27.89,-45.92,;26.98,-44.67,;25.51,-45.15,;29.43,-45.92,;30.2,-47.26,;31.74,-47.26,;32.51,-45.92,;31.73,-44.58,;30.2,-44.59,;27.46,-48.64,;28.96,-48.96,;29.44,-50.42,;28.41,-51.57,;26.9,-51.25,;25.65,-52.15,;24.41,-51.24,;24.9,-49.78,;26.43,-49.79,)|
Show InChI InChI=1S/C30H24F2N8/c1-38-15-20-11-19(38)16-39(20)18-12-23(31)28(24(32)13-18)26-7-10-34-30-27(21-3-2-4-25-22(21)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,19-20H,11,15-16H2,1H3,(H,35,36)/t19-,20-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103717
PNG
(US8563553, 142)
Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1F |r|
Show InChI InChI=1S/C24H30FN7O4S/c1-4-12-37(34,35)32-17-7-5-6-16(19(17)25)20-21(31-22(30-20)15-8-9-15)18-10-11-26-23(29-18)27-13-14(2)28-24(33)36-3/h5-7,10-11,14-15,32H,4,8-9,12-13H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1
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n/an/a 0.160n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103648
PNG
(US8563553, 73)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C2CC2)c1F)C1CC1 |r|
Show InChI InChI=1S/C24H27ClFN7O4S/c1-12(29-24(34)37-2)11-28-23-27-8-7-17(30-23)21-20(31-22(32-21)13-3-4-13)16-9-14(25)10-18(19(16)26)33-38(35,36)15-5-6-15/h7-10,12-13,15,33H,3-6,11H2,1-2H3,(H,29,34)(H,31,32)(H,27,28,30)/t12-/m0/s1
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n/an/a 0.180n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103647
PNG
(US8563553, 72)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1Cl)C1CC1 |r|
Show InChI InChI=1S/C22H25Cl2N7O4S/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(23)9-16(17(14)24)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m0/s1
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n/an/a 0.180n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103693
PNG
(US8563553, 118)
Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)C1CC1
Show InChI InChI=1S/C22H16ClF3N6O2S/c23-17-12(18-19(15-6-7-28-22(27)29-15)31-21(30-18)10-4-5-10)8-11(24)9-16(17)32-35(33,34)20-13(25)2-1-3-14(20)26/h1-3,6-10,32H,4-5H2,(H,30,31)(H2,27,28,29)
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n/an/a 0.190n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103694
PNG
(US8563553, 119)
Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(N)n2)C2CC2)c1Cl
Show InChI InChI=1S/C19H20ClFN6O2S/c1-2-7-30(28,29)27-14-9-11(21)8-12(15(14)20)16-17(13-5-6-23-19(22)24-13)26-18(25-16)10-3-4-10/h5-6,8-10,27H,2-4,7H2,1H3,(H,25,26)(H2,22,23,24)
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103624
PNG
(US8563553, 49)
Show SMILES Cl.COC(=O)N[C@@H](C)CNc1nccc(n1)-c1[nH]c(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C1CC1 |r|
Show InChI InChI=1S/C22H25ClFN7O4S.ClH/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(23)9-16(17(14)24)31-36(3,33)34;/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28);1H/t11-;/m0./s1
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103625
PNG
(US8563553, 50)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(C)cc(NS(C)(=O)=O)c1F)C1CC1 |r|
Show InChI InChI=1S/C23H28FN7O4S/c1-12-9-15(18(24)17(10-12)31-36(4,33)34)19-20(30-21(29-19)14-5-6-14)16-7-8-25-22(28-16)26-11-13(2)27-23(32)35-3/h7-10,13-14,31H,5-6,11H2,1-4H3,(H,27,32)(H,29,30)(H,25,26,28)/t13-/m0/s1
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM221684
PNG
(US9314464, 5 | US9593100, Compound 5)
Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1nn(cc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)C |r|
Show InChI InChI=1/C24H32ClN7O4S/c1-6-9-37(34,35)31-19-11-17(10-18(25)12-19)22-20(14-32(30-22)15(2)3)21-7-8-26-23(29-21)27-13-16(4)28-24(33)36-5/h7-8,10-12,14-16,31H,6,9,13H2,1-5H3,(H,28,33)(H,26,27,29)/t16-/s2
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Novartis AG

US Patent


Assay Description
B-Raf (V600E; 4 μM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, ...


US Patent US9314464 (2016)


BindingDB Entry DOI: 10.7270/Q2J67FS0
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM103645
PNG
(US8563553, 70)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1F)C1CC1 |r|
Show InChI InChI=1S/C22H25F2N7O4S/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(23)9-16(17(14)24)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m0/s1
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Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87803
PNG
(US9694016, 837)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2n(C)ncc2n1
Show InChI InChI=1S/C25H23F3N6O2/c1-15-6-7-18(30-24(35)16-4-3-5-17(12-16)25(26,27)28)13-19(15)22-31-20-14-29-33(2)21(20)23(32-22)34-8-10-36-11-9-34/h3-7,12-14H,8-11H2,1-2H3,(H,30,35)
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NOVARTIS AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US9694016 (2017)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50118382
PNG
(CHEMBL3613198)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C15H17BrN6O2S/c1-17-25(23,24)9-4-5-12(22(2)3)11(6-9)21-15-13-10(16)7-18-14(13)19-8-20-15/h4-8,17H,1-3H3,(H2,18,19,20,21)
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA meth...


J Med Chem 58: 7431-48 (2015)


BindingDB Entry DOI: 10.7270/Q2FT8NV1
More data for this
Ligand-Target Pair
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