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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50594148
Substrate
n/a
Meas. Tech.
ChEMBL_2210987 (CHEMBL5123936)
IC50
0.600000±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:
BDBM50594148
Synonyms:
CHEMBL5207948
Type:
Small organic molecule
Emp. Form.:
C33H46F2N4O4
Mol. Mass.:
600.7395
SMILES:
CCN(C1CCC(F)(F)CC1)c1cc(O[C@H]2C[C@@H](C2)N2CCCCC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C |r,wU:15.15,wD:17.20,(5.23,5.93,;3.89,5.16,;3.89,3.62,;5.23,2.85,;6.56,3.62,;7.9,2.85,;7.9,1.31,;8.67,-.02,;9.44,1.31,;6.56,.54,;5.23,1.31,;2.56,2.85,;2.56,1.31,;1.24,.54,;1.24,-1,;2.57,-1.77,;4.08,-1.36,;4.48,-2.85,;2.97,-3.26,;5.81,-3.62,;7.15,-2.85,;8.48,-3.62,;8.48,-5.16,;7.15,-5.93,;5.81,-5.16,;-.1,1.3,;-.1,2.85,;-1.44,3.62,;-1.44,5.16,;-2.77,2.85,;-4.1,3.62,;-5.44,2.85,;-5.43,1.31,;-4.1,.54,;-2.77,1.31,;-6.77,.54,;-8.1,1.31,;-9.44,.54,;-8.1,2.85,;-6.77,3.62,;-6.77,5.16,;1.23,3.62,;1.23,5.16,)|
Structure:
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