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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM310805
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
7454±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:
BDBM310805
Synonyms:
US10150764, Compound 91
Type:
Small organic molecule
Emp. Form.:
C25H38ClN5O2
Mol. Mass.:
476.055
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)nn(C)c2OC)c1C |r,wU:3.2,wD:6.9,(1.15,7.91,;1.93,6.58,;1.15,5.25,;-.38,5.25,;-1.15,3.91,;-2.69,3.91,;-3.47,5.25,;-2.69,6.58,;-1.15,6.58,;-5,5.25,;-5.78,6.58,;-5.78,3.91,;1.93,3.91,;3.47,3.91,;4.23,2.58,;5.78,2.58,;3.47,1.25,;1.93,1.25,;1.15,-.09,;-.38,-.09,;1.93,-1.42,;1.15,-2.76,;1.93,-4.09,;3.39,-4.56,;4.72,-3.79,;3.39,-6.1,;1.93,-6.58,;1.15,-7.91,;1.02,-5.33,;-.47,-5.73,;-1.56,-4.64,;1.15,2.58,;-.38,2.58,)|
Structure:
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