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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase A-Raf'   
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 A-Raf


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using MEK1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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n/an/a 1.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARaf (unknown origin)


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 2.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARaf (unknown origin)


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 2.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM372967
PNG
(US10576087, Compound 2.2a | US9895376, Compound 2....)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1[C@@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@H]12 |r|
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n/an/a 5.60n/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin)


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 A-Raf


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 7.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARaf (unknown origin)


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 7.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50507709
PNG
(CHEMBL4438236)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H19ClF3N5O2/c1-13-2-3-14(22(35)33-15-4-5-18(26)17(11-15)25(27,28)29)10-19(13)34-23(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)
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n/an/a 8.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARaf (unknown origin)


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using human His6-tagged MEK1 (K97R) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and measured a...


Bioorg Med Chem Lett 29: 1605-1608 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.047
BindingDB Entry DOI: 10.7270/Q29P352D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 14.6n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using MEK1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264689
PNG
(CHEMBL4060057)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(21(34)32-15-5-6-17(25)16(10-15)24(26,27)28)9-18(13)33-22(35)23(7-8-23)19-11-20(29-2)31-12-30-19/h3-6,9-12H,7-8H2,1-2H3,(H,32,34)(H,33,35)(H,29,30,31)
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n/an/a 18n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50469204
PNG
(CHEMBL4282601)
Show SMILES CN1CCN(CCCNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H35ClF3N7O2/c1-20-4-5-21(28(43)39-22-6-7-23(24(32)17-22)31(33,34)35)16-25(20)40-29(44)30(8-9-30)26-18-27(38-19-37-26)36-10-3-11-42-14-12-41(2)13-15-42/h4-7,16-19H,3,8-15H2,1-2H3,(H,39,43)(H,40,44)(H,36,37,38)
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n/an/a 25n/an/an/an/an/an/a



University of Science & Technology (UST)

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin)


Eur J Med Chem 158: 144-166 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.005
BindingDB Entry DOI: 10.7270/Q208682V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264719
PNG
(CHEMBL4075036)
Show SMILES CN1CCN(CCCNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H35ClF3N7O2/c1-20-4-5-21(28(43)39-22-6-7-24(32)23(17-22)31(33,34)35)16-25(20)40-29(44)30(8-9-30)26-18-27(38-19-37-26)36-10-3-11-42-14-12-41(2)13-15-42/h4-7,16-19H,3,8-15H2,1-2H3,(H,39,43)(H,40,44)(H,36,37,38)
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 26n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50469203
PNG
(CHEMBL4289810)
Show SMILES CN1CCN(CCNc2nccc(n2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H33ClF3N7O2/c1-19-3-4-20(26(42)37-21-5-6-22(23(31)18-21)30(32,33)34)17-24(19)38-27(43)29(8-9-29)25-7-10-35-28(39-25)36-11-12-41-15-13-40(2)14-16-41/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
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n/an/a 30n/an/an/an/an/an/a



University of Science & Technology (UST)

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) after 20 mins in presence of 33P-gamma-ATP by hotspot kinase


Eur J Med Chem 158: 144-166 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.005
BindingDB Entry DOI: 10.7270/Q208682V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM192503
PNG
(US9187474, 18)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1F
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-15-13-27-21(25-5)12-20(15)28-14)18-11-16(6-7-19(18)24)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
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n/an/a 31n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


US Patent US9187474 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6HWK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264716
PNG
(CHEMBL4087837)
Show SMILES CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF3N6O2/c1-17-5-6-18(25(39)36-19-7-8-21(29)20(14-19)28(30,31)32)13-22(17)37-26(40)27(9-10-27)23-15-24(35-16-34-23)33-11-4-12-38(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,36,39)(H,37,40)(H,33,34,35)
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n/an/a 34n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50507705
PNG
(CHEMBL4436132)
Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C4(CC4)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H33F3N6O3/c1-19-3-4-21(15-25(19)40-30(43)31(10-11-31)27-23-7-12-36-28(23)38-18-37-27)29(42)39-22-5-6-26(24(16-22)32(33,34)35)44-17-20-8-13-41(2)14-9-20/h3-7,12,15-16,18,20H,8-11,13-14,17H2,1-2H3,(H,39,42)(H,40,43)(H,36,37,38)
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n/an/a 36n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARaf (unknown origin)


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264730
PNG
(CHEMBL4080362)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O3/c1-19-4-5-21(14-24(19)39-29(42)30(10-11-30)26-16-27(35-2)37-18-36-26)28(41)38-22-6-7-25(23(15-22)31(32,33)34)43-17-20-8-12-40(3)13-9-20/h4-7,14-16,18,20H,8-13,17H2,1-3H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 38n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264691
PNG
(CHEMBL4104590)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCCCN2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O4/c1-20-4-5-21(16-24(20)39-29(42)30(8-9-30)26-18-27(35-2)37-19-36-26)28(41)38-22-6-7-25(23(17-22)31(32,33)34)44-13-3-10-40-11-14-43-15-12-40/h4-7,16-19H,3,8-15H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264718
PNG
(CHEMBL4085294)
Show SMILES CN1CCC(CNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H32ClF3N6O2/c1-18-3-4-20(27(41)38-21-5-6-23(31)22(14-21)30(32,33)34)13-24(18)39-28(42)29(9-10-29)25-15-26(37-17-36-25)35-16-19-7-11-40(2)12-8-19/h3-6,13-15,17,19H,7-12,16H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 42n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264690
PNG
(CHEMBL4066939)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N6O3/c1-18-4-5-19(14-23(18)38-28(41)29(10-11-29)25-16-26(34-2)36-17-35-25)27(40)37-20-6-7-24(22(15-20)30(31,32)33)42-21-8-12-39(3)13-9-21/h4-7,14-17,21H,8-13H2,1-3H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 43n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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n/an/a 44n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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n/an/a 44n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of desthiobiotin-ATP acylphosphate probe binding to A-Raf in human A375 cells by MS analysis


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264717
PNG
(CHEMBL4082425)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N6O2/c1-18-4-5-19(26(40)37-20-6-7-22(30)21(15-20)29(31,32)33)14-23(18)38-27(41)28(8-9-28)24-16-25(36-17-35-24)34-10-13-39-11-2-3-12-39/h4-7,14-17H,2-3,8-13H2,1H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 47n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50507704
PNG
(CHEMBL4586402)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)C3(CC3)c3ncnc4[nH]ccc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C31H31F3N6O3/c1-18-3-4-19(15-24(18)39-29(42)30(10-11-30)26-22-7-12-35-27(22)37-17-36-26)28(41)38-20-5-6-25(23(16-20)31(32,33)34)43-21-8-13-40(2)14-9-21/h3-7,12,15-17,21H,8-11,13-14H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 52n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARaf (unknown origin)


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264731
PNG
(CHEMBL4060531)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H32ClF3N6O2/c1-19-5-6-20(27(41)38-21-7-8-23(31)22(16-21)30(32,33)34)15-24(19)39-28(42)29(9-10-29)25-17-26(37-18-36-25)35-11-14-40-12-3-2-4-13-40/h5-8,15-18H,2-4,9-14H2,1H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 57n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM192504
PNG
(US9187474, 76)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)F)c(F)cc1C
Show InChI InChI=1S/C23H27F2N5O/c1-13-8-18(24)20(30-22(31)27-7-6-23(3,4)25)10-16(13)17-9-15-12-28-21(26-5)11-19(15)29-14(17)2/h8-12H,6-7H2,1-5H3,(H,26,28)(H2,27,30,31)
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n/an/a 120n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


US Patent US9187474 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6HWK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50523706
PNG
(CHEMBL4542639)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(c3)C(F)(F)F)cc2)ccc1N
Show InChI InChI=1S/C22H17ClF3N3O3/c1-28-21(31)16-11-15(7-9-19(16)27)32-14-5-3-13(4-6-14)29-20(30)12-2-8-18(23)17(10-12)22(24,25)26/h2-11H,27H2,1H3,(H,28,31)(H,29,30)
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n/an/a 183n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using human His6-tagged MEK1 (K97R) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and measured a...


Bioorg Med Chem Lett 29: 1605-1608 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.047
BindingDB Entry DOI: 10.7270/Q29P352D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50264729
PNG
(CHEMBL4101882)
Show SMILES CNc1nccc(n1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(20(34)31-15-5-6-17(25)16(12-15)24(26,27)28)11-18(13)32-21(35)23(8-9-23)19-7-10-30-22(29-2)33-19/h3-7,10-12H,8-9H2,1-2H3,(H,31,34)(H,32,35)(H,29,30,33)
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n/an/a 194n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...


Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50523707
PNG
(CHEMBL4447617)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1N
Show InChI InChI=1S/C22H21N3O4/c1-24-22(27)19-13-18(11-12-20(19)23)29-17-9-5-15(6-10-17)25-21(26)14-3-7-16(28-2)8-4-14/h3-13H,23H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 211n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using human His6-tagged MEK1 (K97R) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and measured a...


Bioorg Med Chem Lett 29: 1605-1608 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.047
BindingDB Entry DOI: 10.7270/Q29P352D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50507705
PNG
(CHEMBL4436132)
Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C4(CC4)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H33F3N6O3/c1-19-3-4-21(15-25(19)40-30(43)31(10-11-31)27-23-7-12-36-28(23)38-18-37-27)29(42)39-22-5-6-26(24(16-22)32(33,34)35)44-17-20-8-13-41(2)14-9-20/h3-7,12,15-16,18,20H,8-11,13-14,17H2,1-2H3,(H,39,42)(H,40,43)(H,36,37,38)
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n/an/a 276n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of desthiobiotin-ATP acylphosphate probe binding to A-Raf in human A375 cells by MS analysis


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 950n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50571440
PNG
(CHEMBL4873571)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human A-Raf (273 to end residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02093
BindingDB Entry DOI: 10.7270/Q2PR80SR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 1.13E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of desthiobiotin-ATP acylphosphate probe binding to A-Raf in human A375 cells by MS analysis


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50574708
PNG
(CHEMBL4866102)
Show SMILES C(Oc1cccc(c1)-c1nc2sccn2c1-c1ccncn1)c1ccccc1
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n/an/a 7.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of A-RAF (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113674
BindingDB Entry DOI: 10.7270/Q28K7DVS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using MEK1 as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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UniChem

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Article
PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of ARAF


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant A-Raf (273 to end residues) using myelin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometr...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair