Reaction Details  Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH1
Ligand
BDBM50541920
Substrate
n/a
Meas. Tech.
ChEMBL_2084846 (CHEMBL4766109)
IC50
52±n/a nM
Citation
 Vaswani, RG; Gehling, VS; Dakin, LA; Cook, AS; Nasveschuk, CG; Duplessis, M; Iyer, P; Balasubramanian, S; Zhao, F; Good, AC; Campbell, R; Lee, C; Cantone, N; Cummings, RT; Normant, E; Bellon, SF; Albrecht, BK; Harmange, JC; Trojer, P; Audia, JE; Zhang, Y; Justin, N; Chen, S; Wilson, JR; Gamblin, SJ Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymp J Med Chem 59:9928-9941 (2016) [PubMed]
Target
Name:
Histone-lysine N-methyltransferase EZH1
Synonyms:
ENX-2 | EZH1 | EZH1_HUMAN | Enhancer of zeste homolog 1 | Enhancer of zeste homolog 1 (EZH1) | Histone-lysine N-methyltransferase EZH1 | KIAA0388
Type:
Protein
Mol. Mass.:
85285.34
Organism:
Homo sapiens (Human)
Description:
Q92800
Residue:
747
Sequence:
MEIPNPPTSKCITYWKRKVKSEYMRLRQLKRLQANMGAKALYVANFAKVQEKTQILNEEWKKLRVQPVQSMKPVSGHPFLKKCTIESIFPGFASQHMLMRSLNTVALVPIMYSWSPLQQNFMVEDETVLCNIPYMGDEVKEEDETFIEELINNYDGKVHGEEEMIPGSVLISDAVFLELVDALNQYSDEEEEGHNDTSDGKQDDSKEDLPVTRKRKRHAIEGNKKSSKKQFPNDMIFSAIASMFPENGVPDDMKERYRELTEMSDPNALPPQCTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNVYKRKNKEIKIEPEPCGTDCFLLLEGAKEYAMLHNPRSKCSGRRRRRHHIVSASCSNASASAVAETKEGDSDRDTGNDWASSSSEANSRCQTPTKQKASPAPPQLCVVEAPSEPVEWTGAEESLFRVFHGTYFNNFCSIARLLGTKTCKQVFQFAVKESLILKLPTDELMNPSQKKKRKHRLWAAHCRKIQLKKDNSSTQVYNYQPCDHPDRPCDSTCPCIMTQNFCEKFCQCNPDCQNRFPGCRCKTQCNTKQCPCYLAVRECDPDLCLTCGASEHWDCKVVSCKNCSIQRGLKKHLLLAPSDVAGWGTFIKESVQKNEFISEYCGELISQDEADRRGKVYDKYMSSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVVMVNGDHRIGIFAKRAIQAGEELFFDYRYSQADALKYVGIERETDVL
  
Inhibitor
Name:
BDBM50541920
Synonyms:
Cpi-1205 | Lirametostat
Type:
Small organic molecule
Emp. Form.:
C27H33F3N4O3
Mol. Mass.:
518.5711
SMILES:
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: