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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50594144
Substrate
n/a
Meas. Tech.
ChEMBL_2210982 (CHEMBL5123931)
IC50
<5.0±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:
BDBM50594144
Synonyms:
CHEMBL5193217
Type:
Small organic molecule
Emp. Form.:
C38H52N8O
Mol. Mass.:
636.8725
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc2c(NCc3c(C)cc(C)[nH]c3=O)nccc12)-c1ccc(CN2CCN(C)CC2)nc1 |r,wU:3.2,wD:6.9,(2,7.3,;3.33,6.53,;3.33,4.99,;4.66,4.22,;6,4.99,;7.33,4.22,;7.33,2.68,;6,1.91,;4.66,2.68,;8.66,1.91,;10,2.68,;8.66,.37,;2,4.22,;2,2.69,;.69,1.92,;-.66,2.67,;-.66,4.21,;-2,4.97,;-3.33,4.2,;-4.66,4.97,;-6,4.2,;-6,2.66,;-4.66,1.89,;-7.33,1.89,;-8.66,2.66,;-10,1.89,;-8.66,4.2,;-7.33,4.97,;-7.33,6.51,;-2,6.52,;-.66,7.29,;.67,6.52,;.67,4.98,;.69,.38,;-.63,-.4,;-.63,-1.94,;.71,-2.7,;.71,-4.24,;2.06,-5,;3.39,-4.22,;4.73,-4.98,;4.74,-6.52,;6.08,-7.29,;3.42,-7.3,;2.07,-6.54,;2.03,-1.92,;2.03,-.38,)|
Structure:
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