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Compile Data Set for Download or QSAR

Found 193 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase; MEK1/2' AND taxid = 9606   
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)
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
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)
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
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)
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
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)
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)
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)
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
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)
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)
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
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)
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
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)
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)
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)
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)
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)
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
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 2


(Homo sapiens)
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1
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; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
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n/an/a 16n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ERK2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a>50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ERK2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 58n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of MEK2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 60n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the dual specificity kinase MEK-2


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 82n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MEK2 by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-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)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 200n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
AP-1 suppression activity using freshly prepared DMSO stock


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50375643
PNG
(CHEMBL261237 | SL-327)
Show SMILES Nc1ccc(SC(=N)C(C#N)c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8,13,22H,21H2
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n/an/a 220n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of MEK2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 300n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
AP-1 suppression activity using one week old DMSO stock


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 300n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
AP-1 suppression activity using one month old DMSO stock


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072154
PNG
(2,3-Bis-[1-amino-1-(2-hydroxy-phenylsulfanyl)-meth...)
Show SMILES Oc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1O
Show InChI InChI=1S/C18H14N4O2S2/c19-9-11(17(21)25-15-7-3-1-5-13(15)23)12(10-20)18(22)26-16-8-4-2-6-14(16)24/h1-8,11-12,21-24H
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n/an/a 400n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
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n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 500n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
AP-1 suppression activity using two months old DMSO stock


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072163
PNG
(2,3-Bis-[1-amino-1-(thiophen-2-ylsulfanyl)-meth-(Z...)
Show SMILES N=C(Sc1cccs1)C(C#N)C(C#N)C(=N)Sc1cccs1
Show InChI InChI=1S/C14H10N4S4/c15-7-9(13(17)21-11-3-1-5-19-11)10(8-16)14(18)22-12-4-2-6-20-12/h1-6,9-10,17-18H
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n/an/a 1.20E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50387974
PNG
(CHEMBL2057830)
Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N
Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MEK2 using [gamma32P]ATP by radiometric kinase assay


Bioorg Med Chem Lett 22: 4946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.041
BindingDB Entry DOI: 10.7270/Q25Q4X5B
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MEK


J Med Chem 47: 6658-61 (2004)


Article DOI: 10.1021/jm049486a
BindingDB Entry DOI: 10.7270/Q2ZG6RRC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072159
PNG
(2,3-Bis-[1-amino-1-(2,6-dichloro-phenylsulfanyl)-m...)
Show SMILES Clc1cccc(Cl)c1SC(=N)C(C#N)C(C#N)C(=N)Sc1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H10Cl4N4S2/c19-11-3-1-4-12(20)15(11)27-17(25)9(7-23)10(8-24)18(26)28-16-13(21)5-2-6-14(16)22/h1-6,9-10,25-26H
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n/an/a 6.50E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072162
PNG
(2,3-Bis-[1-amino-1-(2-chloro-phenylsulfanyl)-meth-...)
Show SMILES Clc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1Cl
Show InChI InChI=1S/C18H12Cl2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
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n/an/a 6.60E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50335376
PNG
((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1
Show InChI InChI=1S/C19H24O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 6.84E+3n/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; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072156
PNG
(2,3-Bis-[1-amino-1-(2-fluoro-phenylsulfanyl)-meth-...)
Show SMILES Fc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1F
Show InChI InChI=1S/C18H12F2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
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n/an/a 7.60E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072150
PNG
(2,3-Bis-[1-amino-1-(2-bromo-phenylsulfanyl)-meth-(...)
Show SMILES Brc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1Br
Show InChI InChI=1S/C18H12Br2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
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n/an/a 7.90E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072146
PNG
(CHEMBL316635 | N-[3,4-Dicyano-5-(naphthalen-2-ylsu...)
Show SMILES O=S(=O)(Nc1[nH]c(Sc2ccc3ccccc3c2)c(C#N)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H14N4O2S2/c23-13-19-20(14-24)22(29-17-11-10-15-6-4-5-7-16(15)12-17)25-21(19)26-30(27,28)18-8-2-1-3-9-18/h1-12,25-26H
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n/an/a 8.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50099963
PNG
(CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...)
Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Research Biomet. Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of erbB2 overexpressing BT 474 cell proliferation


Bioorg Med Chem Lett 11: 1401-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00219-0
BindingDB Entry DOI: 10.7270/Q2W37VKB
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of MAP2K2


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens)
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human MEK2 using ERK2 as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072151
PNG
(2,3-Bis-[1-amino-1-(4-amino-phenylsulfanyl)-meth-(...)
Show SMILES Nc1ccc(SC(=N)C(C#N)C(C#N)C(=N)Sc2ccc(N)cc2)cc1
Show InChI InChI=1S/C18H16N6S2/c19-9-15(17(23)25-13-5-1-11(21)2-6-13)16(10-20)18(24)26-14-7-3-12(22)4-8-14/h1-8,15-16,23-24H,21-22H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072164
PNG
(2,3-Bis-[1-amino-1-phenylsulfanyl-meth-(Z)-ylidene...)
Show SMILES N=C(Sc1ccccc1)C(C#N)C(C#N)C(=N)Sc1ccccc1
Show InChI InChI=1S/C18H14N4S2/c19-11-15(17(21)23-13-7-3-1-4-8-13)16(12-20)18(22)24-14-9-5-2-6-10-14/h1-10,15-16,21-22H
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n/an/a 1.22E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072161
PNG
(2,3-Bis-[1-amino-1-o-tolylsulfanyl-meth-(Z)-yliden...)
Show SMILES Cc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1C
Show InChI InChI=1S/C20H18N4S2/c1-13-7-3-5-9-17(13)25-19(23)15(11-21)16(12-22)20(24)26-18-10-6-4-8-14(18)2/h3-10,15-16,23-24H,1-2H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072155
PNG
(2,3-Bis-[1-amino-1-(2-methoxy-phenylsulfanyl)-meth...)
Show SMILES COc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1OC
Show InChI InChI=1S/C20H18N4O2S2/c1-25-15-7-3-5-9-17(15)27-19(23)13(11-21)14(12-22)20(24)28-18-10-6-4-8-16(18)26-2/h3-10,13-14,23-24H,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the dual specificity kinase MEK-1


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM237225
PNG
(1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...)
Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Br)cc2)ccc1O
Show InChI InChI=1S/C21H19BrN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Nanjing University



Assay Description
Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...


J Enzyme Inhib Med Chem 27: 708-14 (2012)


Article DOI: 10.3109/14756366.2011.608665
BindingDB Entry DOI: 10.7270/Q2N015FS
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072149
PNG
(2,3-Bis-[1-amino-1-(3-amino-phenylsulfanyl)-meth-(...)
Show SMILES Nc1cccc(SC(=N)C(C#N)C(C#N)C(=N)Sc2cccc(N)c2)c1
Show InChI InChI=1S/C18H16N6S2/c19-9-15(17(23)25-13-5-1-3-11(21)7-13)16(10-20)18(24)26-14-6-2-4-12(22)8-14/h1-8,15-16,23-24H,21-22H2
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n/an/a 1.81E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072157
PNG
(2,3-Bis-[1-amino-1-(3-chloro-phenylsulfanyl)-meth-...)
Show SMILES Clc1cccc(SC(=N)C(C#N)C(C#N)C(=N)Sc2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H12Cl2N4S2/c19-11-3-1-5-13(7-11)25-17(23)15(9-21)16(10-22)18(24)26-14-6-2-4-12(20)8-14/h1-8,15-16,23-24H
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n/an/a 1.84E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM50072165
PNG
(2-[1-Amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-yli...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)c1nc2ccccc2s1
Show InChI InChI=1S/C18H13N5S2/c19-9-11(17(22)24-15-7-3-1-5-13(15)21)12(10-20)18-23-14-6-2-4-8-16(14)25-18/h1-8,11-12,22H,21H2
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n/an/a 1.87E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ability to antagonise AP-1 transcriptional activity


Bioorg Med Chem Lett 8: 2839-44 (1999)


Article DOI: 10.1016/s0960-894x(98)00522-8
BindingDB Entry DOI: 10.7270/Q2MW2HNN
More data for this
Ligand-Target Pair
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