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Compile Data Set for Download or QSAR

Found 1939 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-RAF


(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)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
C-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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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)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(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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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50180838
PNG
(CHEMBL3818606)
Show SMILES NCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H13F3IN3O2/c16-10-3-2-9(15(23)22-24-6-5-20)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21H,5-6,20H2,(H,22,23)
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n/an/a 0.00715n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01655
BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50180834
PNG
(CHEMBL3819302)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1
Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57)
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n/an/a 0.0150n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01655
BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50180836
PNG
(CHEMBL3818677)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCCCCNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
Show InChI InChI=1S/C40H43F5IN11O4/c41-27-11-10-26(34(33(27)43)48-29-12-9-25(46)24-28(29)42)37(59)53-61-21-14-47-13-5-1-2-8-32(58)54-15-17-55(18-16-54)38-50-39(56-19-22-60-23-20-56)52-40(51-38)57-31-7-4-3-6-30(31)49-36(57)35(44)45/h3-4,6-7,9-12,24,35,47-48H,1-2,5,8,13-23H2,(H,53,59)
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n/an/a 0.0190n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01655
BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C26H28F3N4O7P/c1-16-2-3-19(31-25(35)22-12-18(4-5-30-22)26(27,28)29)13-21(16)17-10-23(33-6-8-39-9-7-33)32-24(11-17)40-14-20(34)15-41(36,37)38/h2-5,10-13,20,34H,6-9,14-15H2,1H3,(H,31,35)(H2,36,37,38)
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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)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C25H26F3N4O7P/c1-16-2-3-19(31-23(33)17-4-5-29-22(13-17)25(26,27)28)14-20(16)18-12-21(32-6-8-37-9-7-32)24(30-15-18)38-10-11-39-40(34,35)36/h2-5,12-15H,6-11H2,1H3,(H,31,33)(H2,34,35,36)
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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)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C25H26F3N4O7P/c1-16-2-3-19(30-24(33)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-8-37-9-7-32)31-23(14-18)38-10-11-39-40(34,35)36/h2-5,12-15H,6-11H2,1H3,(H,30,33)(H2,34,35,36)
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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)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C27H31F2N4O7P/c1-17-4-5-21(31-26(34)19-6-7-30-23(12-19)27(3,28)29)15-22(17)20-13-24(33-8-9-38-16-18(33)2)32-25(14-20)39-10-11-40-41(35,36)37/h4-7,12-15,18H,8-11,16H2,1-3H3,(H,31,34)(H2,35,36,37)/t18-/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C24H18FN3O4/c25-13-3-1-2-12(10-13)24(30)28-21-20-16-11-14(4-6-17(16)32-22(20)21)31-18-8-9-26-23-15(18)5-7-19(29)27-23/h1-4,6,8-11,20-22H,5,7H2,(H,28,30)(H,26,27,29)/t20-,21-,22-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210051
PNG
(US9273046, 2.29)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210052
PNG
(US9273046, 2.30)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210020
PNG
(US9273046, 2.26)
Show SMILES Clc1cccc2nc([nH]c12)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1S/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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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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210021
PNG
(US9273046, 2.27)
Show SMILES Oc1ccc2nc([nH]c2c1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1S/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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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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210037
PNG
(US9273046, 2.1)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc4ccccc4[nH]3)ccnc2N1
Show InChI InChI=1S/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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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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C25H18F3N3O4/c26-25(27,28)13-3-1-2-12(10-13)24(33)31-21-20-16-11-14(4-6-17(16)35-22(20)21)34-18-8-9-29-23-15(18)5-7-19(32)30-23/h1-4,6,8-11,20-22H,5,7H2,(H,31,33)(H,29,30,32)/t20-,21-,22-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C28H24N4O4/c1-28(2,14-29)16-5-3-4-15(12-16)27(34)32-24-23-19-13-17(6-8-20(19)36-25(23)24)35-21-10-11-30-26-18(21)7-9-22(33)31-26/h3-6,8,10-13,23-25H,7,9H2,1-2H3,(H,32,34)(H,30,31,33)/t23-,24-,25-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210022
PNG
(US9273046, 2.31)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(c[nH]3)-c3ccncc3)ccnc2N1
Show InChI InChI=1S/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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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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210015
PNG
(US9273046, 2.21)
Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc4cc5CCCc5cc4[nH]3)ccnc2N1
Show InChI InChI=1S/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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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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m1/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50180837
PNG
(CHEMBL3819622)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCCCCNC(=O)CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
Show InChI InChI=1S/C42H46F5IN12O5/c43-28-11-10-27(36(35(28)45)51-30-12-9-26(48)24-29(30)44)39(63)56-65-21-14-49-25-33(61)50-13-5-1-2-8-34(62)57-15-17-58(18-16-57)40-53-41(59-19-22-64-23-20-59)55-42(54-40)60-32-7-4-3-6-31(32)52-38(60)37(46)47/h3-4,6-7,9-12,24,37,49,51H,1-2,5,8,13-23,25H2,(H,50,61)(H,56,63)
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The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01655
BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
C-RAF


(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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


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


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C28H23F3N4O4/c29-28(30,31)15-10-13(9-14(11-15)27(32)6-7-27)26(37)35-23-22-18-12-16(1-3-19(18)39-24(22)23)38-20-5-8-33-25-17(20)2-4-21(36)34-25/h1,3,5,8-12,22-24H,2,4,6-7,32H2,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
C-RAF


(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=1S/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-/m1/s1
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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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210044
PNG
(US9273046, 2.4)
Show SMILES Cc1cc2[nH]c(nc2cc1F)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1S/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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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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104963
PNG
(CHEMBL507361 | US8575391, Q)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR...


ACS Med Chem Lett 3: 416-421 (2012)


Article DOI: 10.1021/ml300049d
BindingDB Entry DOI: 10.7270/Q2GT5P80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-RAF


(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=1S/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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C25H18F3N3O4/c26-25(27,28)13-3-1-12(2-4-13)24(33)31-21-20-16-11-14(5-7-17(16)35-22(20)21)34-18-9-10-29-23-15(18)6-8-19(32)30-23/h1-5,7,9-11,20-22H,6,8H2,(H,31,33)(H,29,30,32)/t20-,21-,22-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210002
PNG
(US9273046, 2.8)
Show SMILES Cc1ccc2nc([nH]c2c1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1S/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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-4-3-13-41(17-20)16-19-6-5-18(14-24(19)33(34,35)36)32(43)39-29-28-23-15-21(7-9-25(23)45-30(28)29)44-26-11-12-37-31-22(26)8-10-27(42)38-31/h5-7,9,11-12,14-15,20,28-30H,3-4,8,10,13,16-17H2,1-2H3,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50391802
PNG
((3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl...)
Show SMILES OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1
Show InChI InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR...


ACS Med Chem Lett 3: 416-421 (2012)


Article DOI: 10.1021/ml300049d
BindingDB Entry DOI: 10.7270/Q2GT5P80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-RAF


(Homo sapiens (human))
BDBM210023
PNG
(US9273046, 2.32)
Show SMILES Clc1ccccc1-c1c[nH]c(n1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1S/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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-RAF


(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
Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1
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n/an/a 0.940n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50132262
PNG
(4-[3-Chloro-4-(1,5-dimethyl-1H-imidazol-2-ylsulfan...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H31ClN6O3S/c1-19-17-33-29(35(19)2)40-27-6-5-21(13-23(27)30)34-28-20(16-31)18-32-24-15-26(25(37-3)14-22(24)28)39-10-4-7-36-8-11-38-12-9-36/h5-6,13-15,17-18H,4,7-12H2,1-3H3,(H,32,34)
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00640-1
BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
C-RAF


(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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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)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
C-RAF


(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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


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


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM210016
PNG
(US9273046, 2.22)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)C1C2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C12
Show InChI InChI=1S/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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n/an/a 1n/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...


US Patent US9273046 (2016)


BindingDB Entry DOI: 10.7270/Q28G8JK6
More data for this
Ligand-Target Pair
C-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 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)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
C-RAF


(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)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human MEK1 after 40 mins in presence of MgATP


J Med Chem 59: 3593-608 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01273
BindingDB Entry DOI: 10.7270/Q24M96FS
More data for this
Ligand-Target Pair
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