Reaction Details |
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Target | Dual specificity mitogen-activated protein kinase kinase 1/2 |
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Ligand | BDBM50072147 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_28879 (CHEMBL645949) |
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IC50 | 300±n/a nM |
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Citation | Duncia, JV; Santella, JB; Higley, CA; Pitts, WJ; Wityak, J; Frietze, WE; Rankin, FW; Sun, JH; Earl, RA; Tabaka, AC; Teleha, CA; Blom, KF; Favata, MF; Manos, EJ; Daulerio, AJ; Stradley, DA; Horiuchi, K; Copeland, RA; Scherle, PA; Trzaskos, JM; Magolda, RL; Trainor, GL; Wexler, RR; Hobbs, FW; Olson, RE MEK inhibitors: the chemistry and biological activity of U0126, its analogs, and cyclization products. Bioorg Med Chem Lett8:2839-44 (1999) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Dual specificity mitogen-activated protein kinase kinase 1/2 |
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Name: | Dual specificity mitogen-activated protein kinase kinase 1/2 |
Synonyms: | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | p-MEK1/2 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 795758 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Dual specificity mitogen-activated protein kinase kinase 2 |
Synonyms: | Dual specificity mitogen-activated protein kinase kinase 2 (MEK2) | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | ERK activator kinase 2 | MAP kinase kinase 2 | MAP2K2 | MAPK/ERK kinase 2 | MAPKK 2 | MEK2 | MKK2 | MP2K2_HUMAN | PRKMK2 | VHL-MAP2K1/MAP2K2 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 44423.61 |
Organism: | Homo sapiens (Human) |
Description: | gi_13489054 |
Residue: | 400 |
Sequence: | MLARRKPVLPALTINPTIAEGPSPTSEGASEANLVDLQKKLEELELDEQQKKRLEAFLTQ
KAKVGELKDDDFERISELGAGNGGVVTKVQHRPSGLIMARKLIHLEIKPAIRNQIIRELQ
VLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKEAKRIPEEILGKVSIAVLRG
LAYLREKHQIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMAPERLQ
GTHYSVQSDIWSMGLSLVELAVGRYPIPPPDAKELEAIFGRPVVDGEEGEPHSISPRPRP
PGRPVSGHGMDSRPAMAIFELLDYIVNEPPPKLPNGVFTPDFQEFVNKCLIKNPAERADL
KMLTNHTFIKRSEVEEVDFAGWLCKTLRLNQPGTPTRTAV
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Component 2 |
Name: | Dual specificity mitogen-activated protein kinase kinase 1 |
Synonyms: | Dual specificity mitogen-activated protein kinase (MEK) | Dual specificity mitogen-activated protein kinase kinase 1 (MEK) | Dual specificity mitogen-activated protein kinase kinase 1 (MEK1) | Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase | Dual specificity mitogen-activated protein kinase kinase MEK1/2 | ERK activator kinase 1 | MAP kinase kinase 1 | MAP2K1 | MAPK/ERK kinase 1 | MAPK/ERK kinase 1 (MEK1) | MEK-1 | MEK1 | MP2K1_HUMAN | Mitogen-activated protein kinase 1 (MEK1) | PRKMK1 | VHL-MAP2K1/MAP2K2 |
Type: | Other Protein Type |
Mol. Mass.: | 43439.03 |
Organism: | Homo sapiens (Human) |
Description: | Full-length human MEK-1 was generated by PCR and purified as a fusion protein from Escherichia coli lysates. |
Residue: | 393 |
Sequence: | MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRLEAFLTQKQKV
GELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHE
CNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYL
REKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHY
SVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSY
GMDSRPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAF
IKRSDAEEVDFAGWLCSTIGLNQPSTPTHAAGV
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BDBM50072147 |
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n/a |
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Name | BDBM50072147 |
Synonyms: | (2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)succinonitrile | 1,4-diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene | 1,4-diamino-2,3-dicyano-1,4-bis[2-aminophenylthio]butadiene monoethanolate | 2,3-Bis-[1-amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-ylidene]-succinonitrile | 2,3-Bis-[amino-(2-amino-phenylsulfanyl)-methylene]-succinonitrile | 2,3-bis(amino(2-aminophenylthio)methylene)succinonitrile | 2-[1-Amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-ylidene]-3-[1-amino-1-(2-amino-phenylsulfanyl)-meth-(E)-ylidene]-succinonitrile | 2-[Amino-(2-amino-phenylsulfanyl)-methylene]-3-[1-amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-ylidene]-succinonitrile | CHEMBL100473 | CHEMBL95758 | U-0126 |
Type | Small organic molecule |
Emp. Form. | C18H16N6S2 |
Mol. Mass. | 380.49 |
SMILES | Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N |
Structure |
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