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Compile Data Set for Download or QSAR

Found 10695 hits of ic50 for UniProtKB: P15056   
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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM87369
PNG
(US10245267, Example 704 | US10709712, Example 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/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...

US Patent US10709712 (2020)


BindingDB Entry DOI: 10.7270/Q2280BP3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM87369
PNG
(US10245267, Example 704 | US10709712, Example 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)


BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM87369
PNG
(US10245267, Example 704 | US10709712, Example 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/an/an/a



Bristol-Myers Squibb Company



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

Bioorg Med Chem Lett 17: 5115-20 (2007)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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
Serine/threonine-protein kinase B-raf


(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)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM435718
PNG
(US10570155, Compound 2II | US11332479, Compound 2I...)
Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O
Show InChI InChI=1S/C21H23N7O4S/c1-2-26-10-11-27(33(26,30)31)9-8-23-20-22-7-6-17(24-20)19-18(15-4-3-5-16(29)14-15)25-21-28(19)12-13-32-21/h3-7,12-14,29H,2,8-11H2,1H3,(H,22,23,24)
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n/an/a<0.0400n/an/an/an/an/an/a


TBA

Assay Description
Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ93MQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM435718
PNG
(US10570155, Compound 2II | US11332479, Compound 2I...)
Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O
Show InChI InChI=1S/C21H23N7O4S/c1-2-26-10-11-27(33(26,30)31)9-8-23-20-22-7-6-17(24-20)19-18(15-4-3-5-16(29)14-15)25-21-28(19)12-13-32-21/h3-7,12-14,29H,2,8-11H2,1H3,(H,22,23,24)
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n/an/a<0.0400n/an/an/an/an/an/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...

US Patent US10570155 (2020)


BindingDB Entry DOI: 10.7270/Q2N300B1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM554464
PNG
(US11332479, Compound 50III)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1c(nc2sccn12)-c1ccc(F)c(O)c1
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n/an/a 0.0500n/an/an/an/an/an/a


TBA

Assay Description
Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ93MQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50585092
PNG
(CHEMBL5087577)
Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM554470
PNG
(US11332479, Compound 72IV)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1c(nc2occn12)-c1ccc(F)c(O)c1
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n/an/a 0.0800n/an/an/an/an/an/a


TBA

Assay Description
Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ93MQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase B-raf


(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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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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50481593
PNG
(CHEMBL5287468)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1
Show InChI InChI=1S/C23H22FN4O4PS/c1-32-33(24,29)13-3-12-28-15-19(26-27-28)14-25-34(30,31)21-11-9-18-7-6-16-4-2-5-17-8-10-20(21)23(18)22(16)17/h2,4-11,15,25H,3,12-14H2,1H3
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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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,)|
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n/an/a<0.100n/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
Serine/threonine-protein kinase B-raf


(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,)|
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n/an/a<0.100n/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
Serine/threonine-protein kinase B-raf


(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=1S/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-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmcl.2015.12.086
BindingDB Entry DOI: 10.7270/Q2W097S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase B-raf


(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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n/an/a 0.110n/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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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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n/an/a 0.120n/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
Serine/threonine-protein kinase B-raf


(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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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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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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM554462
PNG
(US11332479, Compound 46III)
Show SMILES Oc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccccc2)n1
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ93MQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM554469
PNG
(US11332479, Compound 70IV)
Show SMILES Oc1cc(ccc1F)-c1nc2occn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)n1
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TBA

Assay Description
Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ93MQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM202851
PNG
(US10245267, Example 829 | US10709712, Example 204 ...)
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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM202851
PNG
(US10245267, Example 829 | US10709712, Example 204 ...)
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/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...

US Patent US10709712 (2020)


BindingDB Entry DOI: 10.7270/Q2280BP3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM554471
PNG
(US11332479, Compound 73IV)
Show SMILES Oc1cc(ccc1F)-c1nc2occn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccccc2)n1
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ93MQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf


(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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50457452
PNG
(SB-590885 | SB590885)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2\C(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/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+
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n/an/a 0.160n/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length human 6His-tagged BRAF V600E mutant expressed in baculovirus infected insect cells co-expressing human CDC37 (1 to 378 resi...

J Med Chem 61: 5775-5793 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01306
BindingDB Entry DOI: 10.7270/Q2J968ZT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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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n/an/a 0.170n/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human MALME-3M cells

J Med Chem 61: 5775-5793 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01306
BindingDB Entry DOI: 10.7270/Q2J968ZT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase 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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM221684
PNG
(US10568884, Cpd 5 | US9314464, 5 | US9593100, Comp...)
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=1S/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-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63S15
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 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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n/an/a 0.200n/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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484212
PNG
(CHEMBL1822264)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccs4)c3F)cc12
Show InChI InChI=1S/C18H13F2N5O4S2/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant

Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM87741
PNG
(US10245267, Example 777 | US10709712, Example 777 ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(nc(OC2CNC2)n1)N1CCOCC1
Show InChI InChI=1S/C28H31N7O3/c1-18-4-5-20(32-26(36)19-6-7-31-24(12-19)28(2,3)17-29)13-22(18)23-14-25(35-8-10-37-11-9-35)34-27(33-23)38-21-15-30-16-21/h4-7,12-14,21,30H,8-11,15-16H2,1-3H3,(H,32,36)
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n/an/a 0.200n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...

US Patent US10709712 (2020)


BindingDB Entry DOI: 10.7270/Q2280BP3
More data for this
Ligand-Target Pair
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