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Compile Data Set for Download or QSAR

Found 319 hits for UniProtKB: P36507   
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 2


(Homo sapiens (Human))
BDBM50301967
PNG
(CHEMBL583679 | N-(2-((S)-3-methyl-2,5-dioxo-1',3'-...)
Show SMILES C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27+/m1/s1
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670n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301954
PNG
((S)-N-benzyl-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydr...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-25(2,3)23(33)30(15-17-8-6-5-7-9-17)16-21(31)27-20-11-10-18-13-26(14-19(18)12-20)22(32)28-24(34)29(26)4/h5-12H,13-16H2,1-4H3,(H,27,31)(H,28,32,34)/t26-/m0/s1
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710n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301956
PNG
((+/-)-N-(3-fluorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(F)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301958
PNG
((+/-)-N-(3-chlorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(Cl)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29ClN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301968
PNG
(CHEMBL570474 | N-((R)-1-(3,5-difluorophenyl)ethyl)...)
Show SMILES C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C27H30F2N4O4/c1-15(17-8-19(28)11-20(29)9-17)33(24(36)26(2,3)4)14-22(34)30-21-7-6-16-12-27(13-18(16)10-21)23(35)31-25(37)32(27)5/h6-11,15H,12-14H2,1-5H3,(H,30,34)(H,31,35,37)/t15-,27+/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301964
PNG
((S)-N-(3-chloro-5-fluorobenzyl)-N-(2-(3-methyl-2,5...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(F)cc(Cl)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28ClFN4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301959
PNG
((+/-)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(C)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H32N4O4/c1-17-7-6-8-18(11-17)15-31(24(34)26(2,3)4)16-22(32)28-21-10-9-19-13-27(14-20(19)12-21)23(33)29-25(35)30(27)5/h6-12H,13-16H2,1-5H3,(H,28,32)(H,29,33,35)
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1.80E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301965
PNG
((S)-N-(3,5-dichlorobenzyl)-N-(2-(3-methyl-2,5-diox...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(Cl)cc(Cl)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301963
PNG
((S)-N-(3,5-difluorobenzyl)-N-(2-(3-methyl-2,5-diox...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28F2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301957
PNG
((+/-)-N-(4-fluorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-5-8-19(27)9-6-16)15-21(32)28-20-10-7-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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3.70E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301962
PNG
((+/-)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3ccc(cc3)C(F)(F)F)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H29F3N4O4/c1-25(2,3)23(37)34(14-16-5-8-19(9-6-16)27(28,29)30)15-21(35)31-20-10-7-17-12-26(13-18(17)11-20)22(36)32-24(38)33(26)4/h5-11H,12-15H2,1-4H3,(H,31,35)(H,32,36,38)
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6.20E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301960
PNG
((+/-)-N-(3-methoxybenzyl)-N-(2-(3-methyl-2,5-dioxo...)
Show SMILES COc1cccc(CN(CC(=O)Nc2ccc3CC4(Cc3c2)N(C)C(=O)NC4=O)C(=O)C(C)(C)C)c1
Show InChI InChI=1S/C27H32N4O5/c1-26(2,3)24(34)31(15-17-7-6-8-21(11-17)36-5)16-22(32)28-20-10-9-18-13-27(14-19(18)12-20)23(33)29-25(35)30(27)4/h6-12H,13-16H2,1-5H3,(H,28,32)(H,29,33,35)
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9.70E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301961
PNG
((+/-)-N-(3-cyanobenzyl)-N-(2-(3-methyl-2,5-dioxo-1...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(c3)C#N)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H29N5O4/c1-26(2,3)24(35)32(15-18-7-5-6-17(10-18)14-28)16-22(33)29-21-9-8-19-12-27(13-20(19)11-21)23(34)30-25(36)31(27)4/h5-11H,12-13,15-16H2,1-4H3,(H,29,33)(H,30,34,36)
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1.30E+4n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301966
PNG
(CHEMBL568880 | N-(2-((S)-3-methyl-2,5-dioxo-1',3'-...)
Show SMILES C[C@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
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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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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n/an/a 1.40n/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 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.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 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.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
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 2


(Homo sapiens (Human))
BDBM142744
PNG
(US8937095, 6)
Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,31H,4,19H2,1-3H3,(H,30,34)(H,32,35)/b28-27-
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TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM142744
PNG
(US8937095, 6)
Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,31H,4,19H2,1-3H3,(H,30,34)(H,32,35)/b28-27-
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116922
BindingDB Entry DOI: 10.7270/Q2DR30FW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 5n/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))
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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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 2


(Homo sapiens (Human))
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human MEK2 using ERK2 as substrate in presence of [gamma-33P]-ATP by scintillation counting method


J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
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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n/an/a 9n/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))
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))
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))
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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n/an/a 14n/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))
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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n/an/a 14n/an/an/an/an/an/a


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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n/an/a 14n/an/an/an/an/an/a


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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n/an/a 14n/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 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 14.6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MEK2 using ERK2 as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 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 15n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of MEK2 (unknown origin)


Eur J Med Chem 168: 315-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.050
BindingDB Entry DOI: 10.7270/Q28W3HSQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK2 by TR-FRET based LanthaScreen assay


ACS Med Chem Lett 2: 22-27 (2011)


Article DOI: 10.1021/ml1001807
BindingDB Entry DOI: 10.7270/Q2542NWT
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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n/an/a 17n/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 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 17n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
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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n/an/a 18n/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))
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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n/an/a 18n/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
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