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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM310803
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
>50000±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:
BDBM310803
Synonyms:
US10150764, Compound 89
Type:
Small organic molecule
Emp. Form.:
C24H33ClF3N5O2
Mol. Mass.:
515.999
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c([nH]n(C)c2=O)C(F)(F)F)c1C |r,wU:6.9,wD:3.2,(-2.07,.13,;-2.07,1.67,;-.74,2.44,;-.74,3.98,;.59,4.75,;.59,6.29,;-.74,7.06,;-2.07,6.29,;-2.07,4.75,;-.74,8.6,;.59,9.37,;-2.07,9.37,;.59,1.67,;1.93,2.44,;3.26,1.67,;4.6,2.44,;3.26,.13,;1.93,-.64,;1.93,-2.18,;3.26,-2.95,;.59,-2.95,;.59,-4.49,;-.74,-5.26,;-.74,-6.8,;-2.2,-7.27,;-3.11,-6.03,;-4.6,-5.63,;-2.2,-4.78,;-2.97,-3.45,;.35,-7.89,;-.05,-9.37,;1.84,-7.49,;1.44,-8.97,;.59,.13,;-.74,-.64,)|
Structure:
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