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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM310781
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
319±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:
BDBM310781
Synonyms:
US10150764, Compound 67 | US10150764, Compound 73
Type:
Small organic molecule
Emp. Form.:
C29H39ClN6O2
Mol. Mass.:
539.112
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)Cc1cccnc1)c1cc(Cl)cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(-4,-.25,;-2.67,-1.02,;-1.33,-.25,;-1.33,1.29,;,2.06,;,3.6,;-1.33,4.37,;-2.67,3.6,;-2.67,2.06,;-1.33,5.91,;-2.67,6.68,;,6.68,;,8.22,;-1.33,8.99,;-1.33,10.53,;,11.3,;1.33,10.53,;1.33,8.99,;,-1.02,;1.33,-.25,;2.67,-1.02,;4,-.25,;2.67,-2.56,;1.33,-3.33,;1.33,-4.87,;2.67,-5.64,;,-5.64,;,-7.18,;-1.33,-7.95,;-1.33,-9.49,;,-10.26,;-2.8,-9.97,;-3.57,-11.3,;-3.7,-8.72,;-2.8,-7.47,;-3.57,-6.14,;,-2.56,;-1.33,-3.33,)|
Structure:
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