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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'tomii' and Initial = 'y'   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494481
PNG
(CHEMBL3092178)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22IN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50443366
PNG
(CHEMBL3086065)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494482
PNG
(CHEMBL3092191)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F
Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-9-8-14(30-21(27)25(3)4)11-18(15)31-20(26)16(12)10-13-6-5-7-17(19(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50443366
PNG
(CHEMBL3086065)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494494
PNG
(CHEMBL3092185)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3F)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-8-7-13(29-20(26)24(2)3)10-17(14)30-19(25)15(11)9-12-5-4-6-16(18(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28)
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n/an/a 13n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010471
PNG
(CHEMBL3263999)
Show SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ccccc4)cc3oc2=O)c1F
Show InChI InChI=1S/C23H20FN3O5S/c1-14-18-9-8-17(31-16-6-4-3-5-7-16)13-20(18)32-23(28)19(14)12-15-10-11-26-22(21(15)24)27-33(29,30)25-2/h3-11,13,25H,12H2,1-2H3,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010463
PNG
(CHEMBL3092195)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F
Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-8-7-15(31-22-25-9-4-10-26-22)12-19(16)32-21(28)17(13)11-14-5-3-6-18(20(14)23)27-33(29,30)24-2/h3-10,12,24,27H,11H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010463
PNG
(CHEMBL3092195)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F
Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-8-7-15(31-22-25-9-4-10-26-22)12-19(16)32-21(28)17(13)11-14-5-3-6-18(20(14)23)27-33(29,30)24-2/h3-10,12,24,27H,11H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494481
PNG
(CHEMBL3092178)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22IN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3
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n/an/a 25n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494484
PNG
(CHEMBL3092176)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F
Show InChI InChI=1S/C21H18FN3O5S2/c1-12-15-7-6-14(29-21-24-8-9-31-21)11-18(15)30-20(26)16(12)10-13-4-3-5-17(19(13)22)25-32(27,28)23-2/h3-9,11,23,25H,10H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50010469
PNG
(CHEMBL3092179)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C22H25N3O6S/c1-13-9-17-14(2)18(11-15-7-6-8-16(10-15)24-32(28,29)23-3)21(26)30-20(17)12-19(13)31-22(27)25(4)5/h6-10,12,23-24H,11H2,1-5H3
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n/an/a 29n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010465
PNG
(CHEMBL3263996)
Show SMILES CNS(=O)(=O)Nc1cc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)ccn1
Show InChI InChI=1S/C20H22N4O6S/c1-12-15-6-5-14(29-20(26)24(3)4)11-17(15)30-19(25)16(12)9-13-7-8-22-18(10-13)23-31(27,28)21-2/h5-8,10-11,21H,9H2,1-4H3,(H,22,23)
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n/an/a 32n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494482
PNG
(CHEMBL3092191)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F
Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-9-8-14(30-21(27)25(3)4)11-18(15)31-20(26)16(12)10-13-6-5-7-17(19(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3
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n/an/a 38n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494485
PNG
(CHEMBL3092184)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3ccc(F)c(NS(N)(=O)=O)c3)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-6-5-13(29-20(26)24(2)3)10-18(14)30-19(25)15(11)8-12-4-7-16(21)17(9-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28)
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n/an/a 44n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494494
PNG
(CHEMBL3092185)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3F)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-8-7-13(29-20(26)24(2)3)10-17(14)30-19(25)15(11)9-12-5-4-6-16(18(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28)
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494493
PNG
(CHEMBL3092181)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#N)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C22H22N4O6S/c1-13-17-10-15(12-23)19(32-22(28)26(3)4)11-20(17)31-21(27)18(13)9-14-6-5-7-16(8-14)25-33(29,30)24-2/h5-8,10-11,24-25H,9H2,1-4H3
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n/an/a 55n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010462
PNG
(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)
Show SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F
Show InChI InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)
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n/an/a 56n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010473
PNG
(CHEMBL3264001)
Show SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4cnccn4)cc3oc2=O)c1F
Show InChI InChI=1S/C21H18FN5O5S/c1-12-15-4-3-14(31-18-11-24-7-8-25-18)10-17(15)32-21(28)16(12)9-13-5-6-26-20(19(13)22)27-33(29,30)23-2/h3-8,10-11,23H,9H2,1-2H3,(H,26,27)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494487
PNG
(CHEMBL3092196)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1
Show InChI InChI=1S/C21H19N3O5S2/c1-13-17-7-6-16(28-21-23-8-9-30-21)12-19(17)29-20(25)18(13)11-14-4-3-5-15(10-14)24-31(26,27)22-2/h3-10,12,22,24H,11H2,1-2H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494491
PNG
(CHEMBL3092188)
Show SMILES CN(C)C(=O)Oc1ccc2c(CF)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-24(2)20(26)29-14-6-7-15-17(11-21)16(19(25)30-18(15)10-14)9-12-4-3-5-13(8-12)23-31(22,27)28/h3-8,10,23H,9,11H2,1-2H3,(H2,22,27,28)
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494484
PNG
(CHEMBL3092176)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F
Show InChI InChI=1S/C21H18FN3O5S2/c1-12-15-7-6-14(29-21-24-8-9-31-21)11-18(15)30-20(26)16(12)10-13-4-3-5-17(19(13)22)25-32(27,28)23-2/h3-9,11,23,25H,10H2,1-2H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494480
PNG
(CHEMBL3092192)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(F)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494478
PNG
(CHEMBL3092193)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(CF)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22FN3O6S/c1-23-32(28,29)24-14-6-4-5-13(9-14)10-17-18(12-22)16-8-7-15(30-21(27)25(2)3)11-19(16)31-20(17)26/h4-9,11,23-24H,10,12H2,1-3H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010467
PNG
(CHEMBL3263995)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)n1
Show InChI InChI=1S/C20H22N4O6S/c1-12-15-9-8-14(29-20(26)24(3)4)11-17(15)30-19(25)16(12)10-13-6-5-7-18(22-13)23-31(27,28)21-2/h5-9,11,21H,10H2,1-4H3,(H,22,23)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494479
PNG
(CHEMBL3092180)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#C)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C23H23N3O6S/c1-6-16-12-18-14(2)19(11-15-8-7-9-17(10-15)25-33(29,30)24-3)22(27)31-21(18)13-20(16)32-23(28)26(4)5/h1,7-10,12-13,24-25H,11H2,2-5H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010469
PNG
(CHEMBL3092179)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C22H25N3O6S/c1-13-9-17-14(2)18(11-15-7-6-8-16(10-15)24-32(28,29)23-3)21(26)30-20(17)12-19(13)31-22(27)25(4)5/h6-10,12,23-24H,11H2,1-5H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010469
PNG
(CHEMBL3092179)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C22H25N3O6S/c1-13-9-17-14(2)18(11-15-7-6-8-16(10-15)24-32(28,29)23-3)21(26)30-20(17)12-19(13)31-22(27)25(4)5/h6-10,12,23-24H,11H2,1-5H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010472
PNG
(CHEMBL3264000)
Show SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ccccn4)cc3oc2=O)c1F
Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-7-6-15(31-19-5-3-4-9-25-19)12-18(16)32-22(28)17(13)11-14-8-10-26-21(20(14)23)27-33(29,30)24-2/h3-10,12,24H,11H2,1-2H3,(H,26,27)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494493
PNG
(CHEMBL3092181)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#N)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C22H22N4O6S/c1-13-17-10-15(12-23)19(32-22(28)26(3)4)11-20(17)31-21(27)18(13)9-14-6-5-7-16(8-14)25-33(29,30)24-2/h5-8,10-11,24-25H,9H2,1-4H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50010463
PNG
(CHEMBL3092195)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F
Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-8-7-15(31-22-25-9-4-10-26-22)12-19(16)32-21(28)17(13)11-14-5-3-6-18(20(14)23)27-33(29,30)24-2/h3-10,12,24,27H,11H2,1-2H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494479
PNG
(CHEMBL3092180)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#C)c(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C23H23N3O6S/c1-6-16-12-18-14(2)19(11-15-8-7-9-17(10-15)25-33(29,30)24-3)22(27)31-21(18)13-20(16)32-23(28)26(4)5/h1,7-10,12-13,24-25H,11H2,2-5H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494492
PNG
(CHEMBL3092186)
Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3)c(C)c2cc1F
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-9-16(21)18(30-20(26)24(2)3)10-17(14)29-19(25)15(11)8-12-5-4-6-13(7-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28)
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50010464
PNG
(CHEMBL3092189)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H23N3O6S/c1-13-17-9-8-16(29-21(26)24(3)4)12-19(17)30-20(25)18(13)11-14-6-5-7-15(10-14)23-31(27,28)22-2/h5-10,12,22-23H,11H2,1-4H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494490
PNG
(CHEMBL3092187)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1F
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-7-8-16(29-20(26)24(2)3)17(21)18(14)30-19(25)15(11)10-12-5-4-6-13(9-12)23-31(22,27)28/h4-9,23H,10H2,1-3H3,(H2,22,27,28)
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494478
PNG
(CHEMBL3092193)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(CF)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22FN3O6S/c1-23-32(28,29)24-14-6-4-5-13(9-14)10-17-18(12-22)16-8-7-15(30-21(27)25(2)3)11-19(16)31-20(17)26/h4-9,11,23-24H,10,12H2,1-3H3
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494492
PNG
(CHEMBL3092186)
Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3)c(C)c2cc1F
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-9-16(21)18(30-20(26)24(2)3)10-17(14)29-19(25)15(11)8-12-5-4-6-13(7-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28)
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Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494491
PNG
(CHEMBL3092188)
Show SMILES CN(C)C(=O)Oc1ccc2c(CF)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-24(2)20(26)29-14-6-7-15-17(11-21)16(19(25)30-18(15)10-14)9-12-4-3-5-13(8-12)23-31(22,27)28/h3-8,10,23H,9,11H2,1-2H3,(H2,22,27,28)
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n/an/a 220n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494489
PNG
(CHEMBL3092182)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1
Show InChI InChI=1S/C20H21N3O6S/c1-12-16-8-7-15(28-20(25)23(2)3)11-18(16)29-19(24)17(12)10-13-5-4-6-14(9-13)22-30(21,26)27/h4-9,11,22H,10H2,1-3H3,(H2,21,26,27)
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n/an/a 230n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494490
PNG
(CHEMBL3092187)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1F
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-7-8-16(29-20(26)24(2)3)17(21)18(14)30-19(25)15(11)10-12-5-4-6-13(9-12)23-31(22,27)28/h4-9,23H,10H2,1-3H3,(H2,22,27,28)
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n/an/a 240n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010464
PNG
(CHEMBL3092189)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H23N3O6S/c1-13-17-9-8-16(29-21(26)24(3)4)12-19(17)30-20(25)18(13)11-14-6-5-7-15(10-14)23-31(27,28)22-2/h5-10,12,22-23H,11H2,1-4H3
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n/an/a 300n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010464
PNG
(CHEMBL3092189)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H23N3O6S/c1-13-17-9-8-16(29-21(26)24(3)4)12-19(17)30-20(25)18(13)11-14-6-5-7-15(10-14)23-31(27,28)22-2/h5-10,12,22-23H,11H2,1-4H3
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n/an/a 300n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494489
PNG
(CHEMBL3092182)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1
Show InChI InChI=1S/C20H21N3O6S/c1-12-16-8-7-15(28-20(25)23(2)3)11-18(16)29-19(24)17(12)10-13-5-4-6-14(9-13)22-30(21,26)27/h4-9,11,22H,10H2,1-3H3,(H2,21,26,27)
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n/an/a 530n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494486
PNG
(CHEMBL3092194)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1
Show InChI InChI=1S/C22H20N4O5S/c1-14-18-8-7-17(30-22-24-9-4-10-25-22)13-20(18)31-21(27)19(14)12-15-5-3-6-16(11-15)26-32(28,29)23-2/h3-11,13,23,26H,12H2,1-2H3
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n/an/a 810n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494488
PNG
(CHEMBL3092183)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cc(NS(N)(=O)=O)ccc3F)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-11-15-6-5-14(29-20(26)24(2)3)10-18(15)30-19(25)16(11)9-12-8-13(4-7-17(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28)
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n/an/a 830n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494488
PNG
(CHEMBL3092183)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cc(NS(N)(=O)=O)ccc3F)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-11-15-6-5-14(29-20(26)24(2)3)10-18(15)30-19(25)16(11)9-12-8-13(4-7-17(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28)
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n/an/a 940n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494485
PNG
(CHEMBL3092184)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3ccc(F)c(NS(N)(=O)=O)c3)c(=O)oc2c1
Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-6-5-13(29-20(26)24(2)3)10-18(14)30-19(25)15(11)8-12-4-7-16(21)17(9-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494487
PNG
(CHEMBL3092196)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1
Show InChI InChI=1S/C21H19N3O5S2/c1-13-17-7-6-16(28-21-23-8-9-30-21)12-19(17)29-20(25)18(13)11-14-4-3-5-15(10-14)24-31(26,27)22-2/h3-10,12,22,24H,11H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50494495
PNG
(CHEMBL3092190)
Show SMILES CNS(=O)(=O)Nc1ccc(F)c(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22FN3O6S/c1-12-16-7-6-15(30-21(27)25(3)4)11-19(16)31-20(26)17(12)10-13-9-14(5-8-18(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50010466
PNG
(CHEMBL3263994)
Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)nc3oc2=O)c1
Show InChI InChI=1S/C20H22N4O6S/c1-12-15-8-9-17(29-20(26)24(3)4)22-18(15)30-19(25)16(12)11-13-6-5-7-14(10-13)23-31(27,28)21-2/h5-10,21,23H,11H2,1-4H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins


ACS Med Chem Lett 5: 309-14 (2014)


Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50494495
PNG
(CHEMBL3092190)
Show SMILES CNS(=O)(=O)Nc1ccc(F)c(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22FN3O6S/c1-12-16-7-6-15(30-21(27)25(3)4)11-19(16)31-20(26)17(12)10-13-9-14(5-8-18(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair
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