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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM310769
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
194±n/a nM
Citation
 Campbell, JE Substituted benzene compounds US Patent  US10150764 Publication Date 12/11/2018 
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:
BDBM310769
Synonyms:
US10150764, Compound 54
Type:
Small organic molecule
Emp. Form.:
C35H50N6O3
Mol. Mass.:
602.8099
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 |r,wU:6.9,wD:3.2,(-8,2.06,;-6.67,1.29,;-5.33,2.06,;-5.33,3.6,;-4,4.37,;-4,5.91,;-5.33,6.68,;-6.67,5.91,;-6.67,4.37,;-5.33,8.22,;-4,8.99,;-6.67,8.99,;-4,1.29,;-2.67,2.06,;-1.33,1.29,;-1.33,-.25,;-2.67,-1.02,;-2.67,-2.56,;-1.33,-3.33,;-4,-3.33,;-4,-4.87,;-5.33,-5.64,;-5.33,-7.18,;-4,-7.95,;-6.8,-7.66,;-7.57,-8.99,;-7.7,-6.41,;-6.8,-5.16,;-7.57,-3.83,;-4,-.25,;-5.33,-1.02,;,2.06,;1.33,1.29,;2.67,2.06,;2.67,3.6,;4,4.37,;5.33,3.6,;5.33,2.06,;6.67,1.29,;8,2.06,;8,3.6,;6.67,4.37,;1.33,4.37,;,3.6,)|
Structure:
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