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Compile Data Set for Download or QSAR

Found 1760 hits Enz. Inhib. hit(s) with Target = 'BRAF/CRAF'   
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 proto-oncogene 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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0.300n/an/an/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)

More data for this
Ligand-Target Pair
RAF proto-oncogene 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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0.540n/an/an/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)

More data for this
Ligand-Target Pair
RAF proto-oncogene 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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1.70n/an/an/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)

More data for this
Ligand-Target Pair
RAF proto-oncogene 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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3.30n/an/an/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427363
PNG
(CHEMBL2326002)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl
Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Raf (unknown origin)


J Med Chem 56: 1799-810 (2013)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-RAF


J Med Chem 54: 2341-50 (2011)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201033
PNG
(CHEMBL3924812)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc(OCC(O)CP(O)(O)=O)nc(c1)N1CCOCC1
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n/an/a 0.0240n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201031
PNG
(CHEMBL3961999)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(OCCOP(O)(O)=O)c(c1)N1CCOCC1
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n/an/a 0.0300n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201034
PNG
(CHEMBL3952506)
Show SMILES C[C@@H]1COCCN1c1cc(cc(OCCOP(O)(O)=O)n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
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n/an/a 0.100n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201030
PNG
(CHEMBL3929689)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCOP(O)(O)=O)nc(c1)N1CCOCC1
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n/an/a 0.100n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200517
PNG
(US9670231, 1.39)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 0.150n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210020
PNG
(US9273046, 2.26)
Show SMILES Clc1cccc2nc([nH]c12)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1/C24H17ClN4O3/c25-14-2-1-3-15-21(14)29-24(27-15)20-19-13-10-11(4-6-16(13)32-22(19)20)31-17-8-9-26-23-12(17)5-7-18(30)28-23/h1-4,6,8-10,19-20,22H,5,7H2,(H,27,29)(H,26,28,30)
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n/an/a<0.25n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210021
PNG
(US9273046, 2.27)
Show SMILES Oc1ccc2nc([nH]c2c1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1/C24H18N4O4/c29-11-1-4-15-16(9-11)27-24(26-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-25-23-13(18)3-6-19(30)28-23/h1-2,4-5,7-10,20-22,29H,3,6H2,(H,26,27)(H,25,28,30)
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n/an/a<0.25n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210051
PNG
(US9273046, 2.29)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1
Show InChI InChI=1/C25H18N4O4/c30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13/h1-6,8,10-12,20-22H,7,9H2,(H,26,27,30)
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n/an/a<0.25n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210052
PNG
(US9273046, 2.30)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1/C26H20N4O3/c31-21-9-7-16-20(10-11-27-25(16)30-21)32-15-6-8-19-17(12-15)22-23(24(22)33-19)26-28-13-18(29-26)14-4-2-1-3-5-14/h1-6,8,10-13,22-24H,7,9H2,(H,28,29)(H,27,30,31)
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n/an/a<0.25n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200497
PNG
(US9670231, 1.25)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 0.25n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210037
PNG
(US9273046, 2.1)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc4ccccc4[nH]3)ccnc2N1
Show InChI InChI=1/C24H18N4O3/c29-19-8-6-13-18(9-10-25-23(13)28-19)30-12-5-7-17-14(11-12)20-21(22(20)31-17)24-26-15-3-1-2-4-16(15)27-24/h1-5,7,9-11,20-22H,6,8H2,(H,26,27)(H,25,28,29)
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n/an/a 0.300n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200513
PNG
(US9670231, 1.35)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 0.330n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200528
PNG
(US9670231, 1.43)
Show SMILES CC(C)(C#N)c1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 0.340n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210022
PNG
(US9273046, 2.31)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(c[nH]3)-c3ccncc3)ccnc2N1
Show InChI InChI=1/C25H19N5O3/c31-20-4-2-15-19(7-10-27-24(15)30-20)32-14-1-3-18-16(11-14)21-22(23(21)33-18)25-28-12-17(29-25)13-5-8-26-9-6-13/h1,3,5-12,21-23H,2,4H2,(H,28,29)(H,27,30,31)
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n/an/a 0.350n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210015
PNG
(US9273046, 2.21)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc4cc5CCCc5cc4[nH]3)ccnc2N1
Show InChI InChI=1/C27H22N4O3/c32-22-7-5-16-21(8-9-28-26(16)31-22)33-15-4-6-20-17(12-15)23-24(25(23)34-20)27-29-18-10-13-2-1-3-14(13)11-19(18)30-27/h4,6,8-12,23-25H,1-3,5,7H2,(H,29,30)(H,28,31,32)
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n/an/a 0.400n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200505
PNG
(US9670231, 1.33)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@H]2[C@@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@H]23)CC1
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n/an/a 0.470n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377765
PNG
(CHEMBL254966)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1
Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200498
PNG
(US9670231, 1.26)
Show SMILES NC1(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 0.520n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210045
PNG
(US9273046, 2.4a)
Show SMILES Cc1cc2[nH]c(nc2cc1F)C1[C@@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@H]12
Show InChI InChI=1/C25H19FN4O3/c1-11-8-16-17(10-15(11)26)29-25(28-16)22-21-14-9-12(2-4-18(14)33-23(21)22)32-19-6-7-27-24-13(19)3-5-20(31)30-24/h2,4,6-10,21-23H,3,5H2,1H3,(H,28,29)(H,27,30,31)/t21-,22?,23-/s2
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n/an/a 0.540n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210044
PNG
(US9273046, 2.4)
Show SMILES Cc1cc2[nH]c(nc2cc1F)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1/C25H19FN4O3/c1-11-8-16-17(10-15(11)26)29-25(28-16)22-21-14-9-12(2-4-18(14)33-23(21)22)32-19-6-7-27-24-13(19)3-5-20(31)30-24/h2,4,6-10,21-23H,3,5H2,1H3,(H,28,29)(H,27,30,31)
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n/an/a<0.560n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210024
PNG
(US9273046, 2.33)
Show SMILES FC(F)(F)c1c[nH]c(n1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1/C21H15F3N4O3/c22-21(23,24)14-8-26-20(27-14)17-16-11-7-9(1-3-12(11)31-18(16)17)30-13-5-6-25-19-10(13)2-4-15(29)28-19/h1,3,5-8,16-18H,2,4H2,(H,26,27)(H,25,28,29)
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n/an/a 0.600n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200525
PNG
(US9670231, 1.40)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 0.640n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210002
PNG
(US9273046, 2.8)
Show SMILES Cc1ccc2nc([nH]c2c1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1/C25H20N4O3/c1-12-2-5-16-17(10-12)28-25(27-16)22-21-15-11-13(3-6-18(15)32-23(21)22)31-19-8-9-26-24-14(19)4-7-20(30)29-24/h2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,28)(H,26,29,30)
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BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200503
PNG
(US9670231, 1.31)
Show SMILES CN(C)[C@@H]1CCCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1
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n/an/a 0.780n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210023
PNG
(US9273046, 2.32)
Show SMILES Clc1ccccc1-c1c[nH]c(n1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1/C26H19ClN4O3/c27-17-4-2-1-3-14(17)18-12-29-26(30-18)23-22-16-11-13(5-7-19(16)34-24(22)23)33-20-9-10-28-25-15(20)6-8-21(32)31-25/h1-5,7,9-12,22-24H,6,8H2,(H,29,30)(H,28,31,32)
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n/an/a 0.900n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM199967
PNG
(BDBM200762 | US9670231, 1.1)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
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n/an/a 0.940n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377766
PNG
(CHEMBL403854)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C1CC1
Show InChI InChI=1S/C25H23ClN6O/c1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30)
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n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344532
PNG
(4-(2-(3-tert-butylphenylamino)benzo[d]thiazol-5-yl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C24H24N4O2S/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344548
PNG
(4-(2-(3-tert-butyl phenylamino)benzo[d]oxazol-5-yl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C24H24N4O3/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26034
PNG
(4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...)
Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C20H16BrN5O2/c1-26-18-7-6-14(28-15-8-9-23-17(11-15)19(22)27)10-16(18)25-20(26)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H2,22,27)(H,24,25)
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Novartis



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


J Med Chem 51: 7049-52 (2008)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344541
PNG
(4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N...)
Show SMILES CCc1ccc(Nc2nc3cc(Oc4ccnc(c4)C(=O)NC)ccc3o2)cc1
Show InChI InChI=1S/C22H20N4O3/c1-3-14-4-6-15(7-5-14)25-22-26-18-12-16(8-9-20(18)29-22)28-17-10-11-24-19(13-17)21(27)23-2/h4-13H,3H2,1-2H3,(H,23,27)(H,25,26)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344525
PNG
(4-(2-(3-tert-butylphenylamino)benzo[d]thiazol-5-yl...)
Show SMILES CC(C)(C)c1cccc(Nc2nc3cc(Oc4ccnc(c4)C(N)=O)ccc3s2)c1
Show InChI InChI=1S/C23H22N4O2S/c1-23(2,3)14-5-4-6-15(11-14)26-22-27-18-12-16(7-8-20(18)30-22)29-17-9-10-25-19(13-17)21(24)28/h4-13H,1-3H3,(H2,24,28)(H,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210016
PNG
(US9273046, 2.22)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1/C25H19N5O4/c26-23(32)11-1-4-15-16(9-11)29-25(28-15)21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-24-13(18)3-6-19(31)30-24/h1-2,4-5,7-10,20-22H,3,6H2,(H2,26,32)(H,28,29)(H,27,30,31)
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BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene 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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Novartis



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


J Med Chem 51: 7049-52 (2008)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26023
PNG
(4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1
Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)
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n/an/a 1n/an/an/an/a7.822



Novartis



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


J Med Chem 51: 7049-52 (2008)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344540
PNG
(4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-ylox...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(cc4)C(C)C)nc3c2)ccn1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)15-4-6-16(7-5-15)26-23-27-19-12-17(8-9-21(19)30-23)29-18-10-11-25-20(13-18)22(28)24-3/h4-14H,1-3H3,(H,24,28)(H,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377767
PNG
(CHEMBL429498)
Show SMILES Clc1ccc(CC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1
Show InChI InChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)
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n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200501
PNG
(US9670231, 1.29)
Show SMILES C[C@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1
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n/an/a 1.10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096323
PNG
(CHEMBL3577123)
Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C22H17N3O2/c1-27-20-12-5-4-11-19(20)25-21(14-13-16-8-6-7-15-23-16)24-18-10-3-2-9-17(18)22(25)26/h2-15H,1H3/b14-13+
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n/an/a 1.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210039
PNG
(US9273046, 2.2a)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)C1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21?,22-/s2
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n/an/a 1.20n/an/an/an/an/a25



BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200538
PNG
(US9670231, 1.47)
Show SMILES CN(C)[C@H]1CCCN(C1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 1.20n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200336
PNG
(US9670231, 1.12)
Show SMILES FC(F)(F)c1cc(ccc1CN1CCN2CCC[C@@H]2C1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
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n/an/a 1.30n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


Citation and Details
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26041
PNG
(2-chloro-5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-...)
Show SMILES Oc1cc(ccc1Cl)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM210034
PNG
(US9273046, 1.1)
Show SMILES O=C1CCc2c(Oc3ccc4CC5C(C5c4c3)c3nc4ccccc4[nH]3)ccnc2N1
Show InChI InChI=1/C25H20N4O2/c30-21-8-7-15-20(9-10-26-24(15)29-21)31-14-6-5-13-11-17-22(16(13)12-14)23(17)25-27-18-3-1-2-4-19(18)28-25/h1-6,9-10,12,17,22-23H,7-8,11H2,(H,27,28)(H,26,29,30)
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BeiGene, LTD.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


Citation and Details
More data for this
Ligand-Target Pair
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