Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH1
Ligand
BDBM588043
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
8.31±n/a nM
Citation
 Jung, SH; Hong, DJ; Hwang, JY; Kim, SH; Park, SM; Mah, SM; Ahn, YG Dioxoloisoquinolinone derivatives and use thereof US Patent  US11535629 Publication Date 12/27/2022 
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:
BDBM588043
Synonyms:
(R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-yl)methyl)-2- (trans-4- (dimethylamino)cyclohexyl)-9- (furan-2-yl)-2,4-dimethyl-7,8- dihydro-[1,3]dioxolo[4,5- g]isoquinolin-5(6H)-one | US11535629, Compound 30
Type:
Small organic molecule
Emp. Form.:
C32H39N3O5
Mol. Mass.:
545.6692
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccco1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.5,(10.11,2.58,;8.62,2.97,;8.22,4.46,;7.53,1.89,;7.93,.4,;6.84,-.69,;5.35,-.29,;4.96,1.19,;6.04,2.28,;4.26,-1.38,;5.35,-2.47,;3.36,-2.63,;1.9,-2.15,;1.9,-.61,;3.36,-.14,;.56,.16,;.56,1.7,;1.81,2.6,;1.33,4.07,;-.21,4.07,;-.68,2.6,;-.77,-.61,;-2.11,.16,;-3.44,-.61,;-3.44,-2.15,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-7.44,-4.46,;-8.77,-2.15,;-8.77,-.61,;-10.11,.16,;-7.44,.16,;-6.11,-.61,;-4.77,.16,;-2.11,-2.92,;-2.11,-4.46,;-.77,-2.15,;.56,-2.92,;.56,-4.46,)|
Structure:
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