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Compile Data Set for Download or QSAR

Found 124 hits of ic50 for UniProtKB: P36507   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50531540
PNG
(CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...)
Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MEK in human KYSE-520 cells assessed as reduction in p-ERK levels


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01170
BindingDB Entry DOI: 10.7270/Q2CC14BB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50222709
PNG
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)
Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)
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n/an/a 1.20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM520651
PNG
(US11147816, PD318088 | US11701360, PD318088)
Show SMILES OCC(O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NK3K5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50531540
PNG
(CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...)
Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00302
BindingDB Entry DOI: 10.7270/Q20Z779V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50222709
PNG
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)
Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)
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n/an/a 2n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50531540
PNG
(CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...)
Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NK3K5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476830
PNG
(CHEMBL442235)
Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476834
PNG
(CHEMBL234887)
Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C15H15FIN3O4/c1-20-8-10(15(23)19-24-5-4-21)13(7-14(20)22)18-12-3-2-9(17)6-11(12)16/h2-3,6-8,18,21H,4-5H2,1H3,(H,19,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484545
PNG
(CHEMBL1933935)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NOC[C@H](O)CO)c2C1 |r|
Show InChI InChI=1S/C20H23FIN3O5S/c1-20(2)6-12-15(17(28)25-30-8-11(27)7-26)19(31-16(12)18(29)23-9-20)24-14-4-3-10(22)5-13(14)21/h3-5,11,24,26-27H,6-9H2,1-2H3,(H,23,29)(H,25,28)/t11-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM520648
PNG
(US11147816, AZD8330 | US11701360, AZD8330)
Show SMILES Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NK3K5S
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484549
PNG
(CHEMBL1933934)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NOCCO)c2C1
Show InChI InChI=1S/C19H21FIN3O4S/c1-19(2)8-11-14(16(26)24-28-6-5-25)18(29-15(11)17(27)22-9-19)23-13-4-3-10(21)7-12(13)20/h3-4,7,23,25H,5-6,8-9H2,1-2H3,(H,22,27)(H,24,26)
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n/an/a 7n/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484550
PNG
(CHEMBL1933937)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[C@@H]3CCNC3)c2C1 |r|
Show InChI InChI=1S/C21H24FIN4O2S/c1-21(2)8-13-16(18(28)26-12-5-6-24-9-12)20(30-17(13)19(29)25-10-21)27-15-4-3-11(23)7-14(15)22/h3-4,7,12,24,27H,5-6,8-10H2,1-2H3,(H,25,29)(H,26,28)/t12-/m1/s1
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of MEK in human A375 cells assessed as inhibition of ERK phosphorylation


J Med Chem 59: 6501-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of MEK in human A375 cells assessed as inhibition of ERK phosphorylation


J Med Chem 59: 6501-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484543
PNG
(CHEMBL1933932)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(N)=O)c2C1
Show InChI InChI=1S/C17H17FIN3O2S/c1-17(2)6-9-12(14(20)23)16(25-13(9)15(24)21-7-17)22-11-4-3-8(19)5-10(11)18/h3-5,22H,6-7H2,1-2H3,(H2,20,23)(H,21,24)
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484551
PNG
(CHEMBL1933928)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3Cl)c(C(=O)NOC[C@H](O)CO)c2C1 |r|
Show InChI InChI=1S/C20H23ClIN3O5S/c1-20(2)6-12-15(17(28)25-30-8-11(27)7-26)19(31-16(12)18(29)23-9-20)24-14-4-3-10(22)5-13(14)21/h3-5,11,24,26-27H,6-9H2,1-2H3,(H,23,29)(H,25,28)/t11-/m1/s1
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM520649
PNG
(US11147816, Binimetinib (ARRY-162, ARRY-438162) | ...)
Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NK3K5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484555
PNG
(CHEMBL1933923)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3Cl)c(C(N)=O)c2C1
Show InChI InChI=1S/C17H17ClIN3O2S/c1-17(2)6-9-12(14(20)23)16(25-13(9)15(24)21-7-17)22-11-4-3-8(19)5-10(11)18/h3-5,22H,6-7H2,1-2H3,(H2,20,23)(H,21,24)
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM104963
PNG
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r|
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 13.7n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NK3K5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50355497
PNG
(AZD-6244 | CHEMBL1614701)
Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00302
BindingDB Entry DOI: 10.7270/Q20Z779V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50355497
PNG
(AZD-6244 | CHEMBL1614701)
Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
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TBA

Assay Description
Inhibition of MEK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115657
BindingDB Entry DOI: 10.7270/Q21J9FHZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484552
PNG
(CHEMBL1933931)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(O)=O)c2C1
Show InChI InChI=1S/C17H16FIN2O3S/c1-17(2)6-9-12(16(23)24)15(25-13(9)14(22)20-7-17)21-11-4-3-8(19)5-10(11)18/h3-5,21H,6-7H2,1-2H3,(H,20,22)(H,23,24)
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484547
PNG
(CHEMBL1933938)
Show SMILES CC(C)(N)CNC(=O)c1c(Nc2ccc(I)cc2F)sc2c1CC(C)(C)CNC2=O
Show InChI InChI=1S/C21H26FIN4O2S/c1-20(2)8-12-15(17(28)26-10-21(3,4)24)19(30-16(12)18(29)25-9-20)27-14-6-5-11(23)7-13(14)22/h5-7,27H,8-10,24H2,1-4H3,(H,25,29)(H,26,28)
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50132260
PNG
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)
Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476829
PNG
(CHEMBL396548)
Show SMILES NC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C13H8F3IN2O/c14-8-3-2-7(13(18)20)12(11(8)16)19-10-4-1-6(17)5-9(10)15/h1-5,19H,(H2,18,20)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484542
PNG
(CHEMBL1933929)
Show SMILES CC(C)(N)CNC(=O)c1c(Nc2ccc(I)cc2Cl)sc2c1CC(C)(C)CNC2=O
Show InChI InChI=1S/C21H26ClIN4O2S/c1-20(2)8-12-15(17(28)26-10-21(3,4)24)19(30-16(12)18(29)25-9-20)27-14-6-5-11(23)7-13(14)22/h5-7,27H,8-10,24H2,1-4H3,(H,25,29)(H,26,28)
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476834
PNG
(CHEMBL234887)
Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C15H15FIN3O4/c1-20-8-10(15(23)19-24-5-4-21)13(7-14(20)22)18-12-3-2-9(17)6-11(12)16/h2-3,6-8,18,21H,4-5H2,1H3,(H,19,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476826
PNG
(CHEMBL243457)
Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(cc2F)C#C)cc1=O
Show InChI InChI=1S/C15H12FN3O2/c1-3-9-4-5-12(11(16)6-9)18-13-7-14(20)19(2)8-10(13)15(17)21/h1,4-8,18H,2H3,(H2,17,21)
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n/an/a 21n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484553
PNG
(CHEMBL1933936)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[C@@H]3CCCNC3)c2C1 |r|
Show InChI InChI=1S/C22H26FIN4O2S/c1-22(2)9-14-17(19(29)27-13-4-3-7-25-10-13)21(31-18(14)20(30)26-11-22)28-16-6-5-12(24)8-15(16)23/h5-6,8,13,25,28H,3-4,7,9-11H2,1-2H3,(H,26,30)(H,27,29)/t13-/m1/s1
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476830
PNG
(CHEMBL442235)
Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484540
PNG
(CHEMBL1933926)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3Cl)c(C(=O)NC[C@@H](O)CO)c2C1 |r|
Show InChI InChI=1S/C20H23ClIN3O4S/c1-20(2)6-12-15(17(28)23-7-11(27)8-26)19(30-16(12)18(29)24-9-20)25-14-4-3-10(22)5-13(14)21/h3-5,11,25-27H,6-9H2,1-2H3,(H,23,28)(H,24,29)/t11-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476829
PNG
(CHEMBL396548)
Show SMILES NC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C13H8F3IN2O/c14-8-3-2-7(13(18)20)12(11(8)16)19-10-4-1-6(17)5-9(10)15/h1-5,19H,(H2,18,20)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50484546
PNG
(CHEMBL1933076)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NC[C@H]3CCCN3)c2C1 |r|
Show InChI InChI=1S/C22H26FIN4O2S/c1-22(2)9-14-17(19(29)26-10-13-4-3-7-25-13)21(31-18(14)20(30)27-11-22)28-16-6-5-12(24)8-15(16)23/h5-6,8,13,25,28H,3-4,7,9-11H2,1-2H3,(H,26,29)(H,27,30)/t13-/m1/s1
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay


Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50132260
PNG
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)
Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
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n/an/a 46n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476841
PNG
(CHEMBL234890)
Show SMILES Cn1cc(C(=O)NCCCO)c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C16H17FIN3O3/c1-21-9-11(16(24)19-5-2-6-22)14(8-15(21)23)20-13-4-3-10(18)7-12(13)17/h3-4,7-9,20,22H,2,5-6H2,1H3,(H,19,24)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476825
PNG
(CHEMBL397811)
Show SMILES CCOC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H14FIN2O3/c1-3-22-15(21)10-8-19(2)14(20)7-13(10)18-12-5-4-9(17)6-11(12)16/h4-8,18H,3H2,1-2H3
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476816
PNG
(CHEMBL387574)
Show SMILES OCCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H12F3IN2O2/c16-10-3-2-9(15(23)20-5-6-22)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21-22H,5-6H2,(H,20,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476816
PNG
(CHEMBL387574)
Show SMILES OCCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H12F3IN2O2/c16-10-3-2-9(15(23)20-5-6-22)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21-22H,5-6H2,(H,20,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476845
PNG
(CHEMBL393282)
Show SMILES NC(=O)c1cn(CC=C)c(=O)cc1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H13FIN3O2/c1-2-5-20-8-10(15(18)22)13(7-14(20)21)19-12-4-3-9(17)6-11(12)16/h2-4,6-8,19H,1,5H2,(H2,18,22)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476839
PNG
(CHEMBL393283)
Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)cc1=O
Show InChI InChI=1S/C13H11BrFN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(14)4-9(10)15/h2-6,17H,1H3,(H2,16,20)
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n/an/a 93n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476841
PNG
(CHEMBL234890)
Show SMILES Cn1cc(C(=O)NCCCO)c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C16H17FIN3O3/c1-21-9-11(16(24)19-5-2-6-22)14(8-15(21)23)20-13-4-3-10(18)7-12(13)17/h3-4,7-9,20,22H,2,5-6H2,1H3,(H,19,24)
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n/an/a 95n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476815
PNG
(CHEMBL396631)
Show SMILES NC(=O)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F
Show InChI InChI=1S/C12H9FIN3O2/c13-8-3-6(14)1-2-9(8)17-10-4-11(18)16-5-7(10)12(15)19/h1-5H,(H2,15,19)(H2,16,17,18)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476826
PNG
(CHEMBL243457)
Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(cc2F)C#C)cc1=O
Show InChI InChI=1S/C15H12FN3O2/c1-3-9-4-5-12(11(16)6-9)18-13-7-14(20)19(2)8-10(13)15(17)21/h1,4-8,18H,2H3,(H2,17,21)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476833
PNG
(CHEMBL391975)
Show SMILES CCc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1
Show InChI InChI=1S/C15H16FN3O2/c1-3-9-4-5-12(11(16)6-9)18-13-7-14(20)19(2)8-10(13)15(17)21/h4-8,18H,3H2,1-2H3,(H2,17,21)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476819
PNG
(CHEMBL235780)
Show SMILES OCCONC(=O)c1c[nH]c(=O)cc1Nc1ccc(Br)cc1F
Show InChI InChI=1S/C14H13BrFN3O4/c15-8-1-2-11(10(16)5-8)18-12-6-13(21)17-7-9(12)14(22)19-23-4-3-20/h1-2,5-7,20H,3-4H2,(H,19,22)(H2,17,18,21)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476842
PNG
(CHEMBL233627)
Show SMILES CSc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1
Show InChI InChI=1S/C14H14FN3O2S/c1-18-7-9(14(16)20)12(6-13(18)19)17-11-4-3-8(21-2)5-10(11)15/h3-7,17H,1-2H3,(H2,16,20)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase ERK


Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NK3K5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476831
PNG
(CHEMBL395231)
Show SMILES Cn1cc(C(=O)NCCO)c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C15H15FIN3O3/c1-20-8-10(15(23)18-4-5-21)13(7-14(20)22)19-12-3-2-9(17)6-11(12)16/h2-3,6-8,19,21H,4-5H2,1H3,(H,18,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50476832
PNG
(CHEMBL397812)
Show SMILES CNC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F
Show InChI InChI=1S/C14H13FIN3O2/c1-17-14(21)9-7-19(2)13(20)6-12(9)18-11-4-3-8(16)5-10(11)15/h3-7,18H,1-2H3,(H,17,21)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay


J Med Chem 50: 5090-102 (2007)


Article DOI: 10.1021/jm0704548
BindingDB Entry DOI: 10.7270/Q2474DMT
More data for this
Ligand-Target Pair
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