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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50594145
Substrate
n/a
Meas. Tech.
ChEMBL_2210987 (CHEMBL5123936)
IC50
1.4±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:
BDBM50594145
Synonyms:
CHEMBL5188124
Type:
Small organic molecule
Emp. Form.:
C26H37N3O3S
Mol. Mass.:
471.655
SMILES:
COC1CN(C1)[C@H]1CC[C@@H](CC1)[C@@H](C)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:6.6,wD:12.14,9.9,(11.22,3.42,;10.45,2.09,;8.91,2.09,;7.82,3.18,;6.71,2.07,;7.8,.98,;5.17,2.07,;4.4,.74,;2.86,.74,;2.09,2.07,;2.86,3.41,;4.4,3.41,;.55,2.07,;-.22,3.41,;-.22,.74,;.55,-.6,;-.48,-1.74,;-1.88,-1.11,;-3.22,-1.88,;-3.22,-3.42,;-4.55,-1.11,;-5.88,-1.88,;-7.22,-1.11,;-7.22,.43,;-5.88,1.2,;-8.55,1.2,;-9.89,.43,;-11.22,1.2,;-9.89,-1.11,;-8.55,-1.88,;-8.55,-3.42,;-1.72,.42,;-2.81,1.51,)|
Structure:
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