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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50594146
Substrate
n/a
Meas. Tech.
ChEMBL_2210982 (CHEMBL5123931)
IC50
0.920000±n/a nM
Citation
 Xia, J; Li, J; Tian, L; Ren, X; Liu, C; Liang, C Targeting Enhancer of Zeste Homolog 2 for the Treatment of Hematological Malignancies and Solid Tumors: Candidate Structure-Activity Relationships Insights and Evolution Prospects. J Med Chem 65:7016-7043 (2022) [PubMed] 
Target
Name:
Histone-lysine N-methyltransferase EZH2
Synonyms:
ENX-1 | EZH2 | EZH2_HUMAN | Enhancer of zeste homolog 2 (EZH2) | Histone-lysine N-methyltransferase EZH2 | KMT6 | Lysine N-methyltransferase 6
Type:
Protein
Mol. Mass.:
85367.84
Organism:
Homo sapiens (Human)
Description:
Q15910
Residue:
746
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM50594146
Synonyms:
CHEMBL5206842
Type:
Small organic molecule
Emp. Form.:
C29H41N3O3S
Mol. Mass.:
511.719
SMILES:
COC1CN(C1)[C@H]1CC[C@@H](CC1)[C@@H](C)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r,wU:9.9,12.14,wD:6.6,(10.07,6.78,;8.53,6.78,;7.76,5.44,;6.28,5.04,;6.67,3.56,;8.16,3.96,;5.9,2.22,;4.36,2.22,;3.59,.89,;4.36,-.44,;5.9,-.44,;6.67,.89,;3.59,-1.78,;4.36,-3.11,;2.05,-1.78,;1.15,-.53,;-.32,-1.01,;-1.52,-.05,;-3.02,-.39,;-3.69,-1.78,;-3.02,-3.16,;-3.98,-4.37,;-5.5,-4.14,;-6.07,-2.71,;-5.11,-1.5,;-7.59,-2.48,;-8.55,-3.68,;-10.07,-3.45,;-7.99,-5.11,;-6.46,-5.34,;-5.9,-6.78,;-1.52,-3.51,;-1.18,-5.01,;-.32,-2.55,;1.15,-3.02,;1.62,-4.49,)|
Structure:
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