Target
Mitogen-activated protein kinase 1/3
Ligand
BDBM50456353
Substrate
n/a
Meas. Tech.
ChEMBL_1755360 (CHEMBL4190120)
IC50
630±n/a nM
Citation
 Heightman, TDBerdini, VBraithwaite, HBuck, IMCassidy, MCastro, JCourtin, ADay, JEHEast, CFazal, LGraham, BGriffiths-Jones, CMLyons, JFMartins, VMuench, SMunck, JMNorton, DO'Reilly, MPalmer, NPathuri, PReader, MRees, DCRich, SJRichardson, CSaini, HThompson, NTWallis, NGWalton, HWilsher, NEWoolford, AJCooke, MCousin, DOnions, SShannon, JWatts, JMurray, CW Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J Med Chem 61:4978-4992 (2018) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 1/3
Synonyms:
Mitogen-activated protein kinase; ERK1/ERK2 | pERK1/2 | t-ERK1/2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 124147
Components:
This complex has 2 components.
Component 1
Name:
Mitogen-activated protein kinase 1
Synonyms:
ERK2 | ERT1 | Extracellular signal-regulated kinase 2 | Extracellular signal-regulated kinase 2 (ERK-2) | Extracellular signal-regulated kinase 2 (ERK2) | MAP Kinase 2/ERK2 | MAPK 2 | MAPK1 | MK01_HUMAN | Mitogen activated kinase 1 (ERK-2) | Mitogen-activated protein kinase 1 (ERK-2) | Mitogen-activated protein kinase 1 (ERK2) | Mitogen-activated protein kinase 2 | PRKM1 | PRKM2 | p42-MAPK
Type:
Ser/Thr Protein Kinase
Mol. Mass.:
41392.76
Organism:
Homo sapiens (Human)
Description:
P28482
Residue:
360
Sequence:
MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
  
Component 2
Name:
Mitogen-activated protein kinase 3
Synonyms:
ERK1 | ERK1/ERK2 | Extracellular signal-regulated kinase 1 | Extracellular signal-regulated kinase 1 (ERK1) | MAP kinase ERK1 | MAPK3 | MAPK3/MAPK7 | MK03_HUMAN | Mitogen-activated protein kinase | Mitogen-activated protein kinase 3 | PRKM3
Type:
Protein
Mol. Mass.:
43136.58
Organism:
Homo sapiens (Human)
Description:
curated by PDB 4QTB
Residue:
379
Sequence:
MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAYDHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYIVQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDLKICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSDSKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERLKELIFQETARFQPGVLEAP
  
Inhibitor
Name:
BDBM50456353
Synonyms:
CHEMBL4210682 | US11001575, Example 2
Type:
Small organic molecule
Emp. Form.:
C24H30ClN5O3
Mol. Mass.:
471.98
SMILES:
CN(C(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: