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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM378909
Substrate
n/a
Meas. Tech.
EZH2 enzymatic activity
IC50
2.00±n/a nM
Citation
 Marx, MA; Lee, MR; Galemmo, RA; Bobinski, TP EZH2 inhibitors US Patent  US10266542 Publication Date 4/23/2019 
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:
BDBM378909
Synonyms:
5,8-dichloro-7-(3,5-dimethyltriazol-4-yl)-2-[(7-methyl-5-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-4-yl)methyl]-3,4-dihydroisoquinolin-1-one | US10266542, Example 15
Type:
Small organic molecule
Emp. Form.:
C22H20Cl2N6O2
Mol. Mass.:
471.339
SMILES:
Cc1nnn(C)c1-c1cc(Cl)c2CCN(Cc3c4cc[nH]c4c(C)[nH]c3=O)C(=O)c2c1Cl |(-9.48,-12.44,;-9.08,-10.96,;-9.98,-9.71,;-9.08,-8.46,;-7.61,-8.94,;-6.28,-8.17,;-7.61,-10.48,;-6.28,-11.25,;-6.28,-12.79,;-4.95,-13.56,;-4.95,-15.1,;-3.61,-12.79,;-2.28,-13.56,;-.94,-12.79,;-.94,-11.25,;.39,-10.48,;1.72,-11.25,;1.72,-12.79,;.58,-13.82,;1.21,-15.23,;2.77,-15.16,;3.06,-13.56,;4.39,-12.79,;5.72,-13.56,;4.39,-11.25,;3.06,-10.48,;3.06,-8.94,;-2.28,-10.48,;-2.28,-8.94,;-3.61,-11.25,;-4.95,-10.48,;-4.95,-8.94,)|
Structure:
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