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Target
Dual specificity mitogen-activated protein kinase kinase 1/2
Ligand
BDBM50072147
Substrate
n/a
Meas. Tech.
ChEMBL_28881 (CHEMBL645951)
IC50
500±n/a nM
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 Lett 8:2839-44 (1999) [PubMed]  Article 
Target
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:
MLARRKPVLPALTINPTIAEGPSPTSEGASEANLVDLQKKLEELELDEQQKKRLEAFLTQKAKVGELKDDDFERISELGAGNGGVVTKVQHRPSGLIMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKEAKRIPEEILGKVSIAVLRGLAYLREKHQIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMAPERLQGTHYSVQSDIWSMGLSLVELAVGRYPIPPPDAKELEAIFGRPVVDGEEGEPHSISPRPRPPGRPVSGHGMDSRPAMAIFELLDYIVNEPPPKLPNGVFTPDFQEFVNKCLIKNPAERADLKMLTNHTFIKRSEVEEVDFAGWLCKTLRLNQPGTPTRTAV
  
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:
MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLNQPSTPTHAAGV
  
Inhibitor
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:
Search PDB for entries with ligand similarity: