Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 1
Ligand
BDBM418308
Substrate
n/a
Meas. Tech.
ERK2 In vitro Inhibition Assay
IC50
1.60±n/a nM
Citation
 Berdini, V; Buck, IM; Day, JE; Griffiths-Jones, CM; Heightman, TD; Howard, S; Murray, CW; Norton, D; O''Reilly, M; Woolford, AJ; Cooke, ML; Cousin, D; Onions, ST; Shannon, JM; Watts, JP Benzolactam compounds as protein kinase inhibitors US Patent  US11001575 Publication Date 5/11/2021 
Target
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
  
Inhibitor
Name:
BDBM418308
Synonyms:
(2R)-2-[6-(5-chloro-2-{[cis-3- methoxycyclobutyl]amino}pyrimidin-4- yl)-1-oxo-2,3-dihydro-1H-isoindol-2- yl]-N-[(1S)-1-(3-fluoro-5- methoxyphenyl)-2- hydroxyethyl]propanamide | US10457669, Example 1115 | US11001575, Example 1115
Type:
Small organic molecule
Emp. Form.:
C29H31ClFN5O5
Mol. Mass.:
584.038
SMILES:
CO[C@@H]1C[C@@H](C1)Nc1ncc(Cl)c(n1)-c1ccc2CN([C@H](C)C(=O)N[C@H](CO)c3cc(F)cc(OC)c3)C(=O)c2c1 |r,wU:4.6,25.26,2.1,wD:20.22,(7.51,-8.83,;6.18,-8.06,;4.85,-8.83,;3.36,-8.43,;2.96,-9.92,;4.45,-10.31,;1.63,-10.69,;.29,-9.92,;-1.04,-10.69,;-2.38,-9.92,;-2.38,-8.38,;-3.71,-7.61,;-1.04,-7.61,;.29,-8.38,;-1.04,-6.07,;.29,-5.3,;.29,-3.76,;-1.04,-2.99,;-1.36,-1.48,;-2.89,-1.32,;-3.66,.02,;-5.2,.02,;-2.89,1.35,;-1.35,1.35,;-3.66,2.68,;-2.89,4.02,;-1.35,4.02,;-.58,5.35,;-3.66,5.35,;-5.2,5.35,;-5.97,6.68,;-7.51,6.68,;-5.2,8.02,;-3.66,8.02,;-2.89,9.35,;-3.66,10.69,;-2.89,6.68,;-3.52,-2.72,;-5.01,-3.12,;-2.38,-3.76,;-2.38,-5.3,)|
Structure:
Search PDB for entries with ligand similarity: