Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM310764
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
10354±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:
BDBM310764
Synonyms:
US10150764, Compound 49
Type:
Small organic molecule
Emp. Form.:
C27H37ClN6O2
Mol. Mass.:
513.075
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c3nc(C)cc(C)n3[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(-3.7,2.97,;-2.36,2.2,;-1.03,2.97,;-1.03,4.51,;.3,5.28,;.3,6.82,;-1.03,7.59,;-2.36,6.82,;-2.36,5.28,;-1.03,9.13,;.3,9.9,;-2.36,9.9,;.3,2.2,;1.64,2.97,;2.97,2.2,;4.3,2.97,;2.97,.66,;1.64,-.11,;1.64,-1.65,;2.97,-2.42,;.3,-2.42,;.3,-3.96,;-1.03,-4.73,;-1.03,-6.27,;.11,-7.3,;-.21,-8.81,;.88,-9.9,;-1.67,-9.28,;-2.82,-8.25,;-4.3,-8.65,;-2.5,-6.75,;-3.4,-5.5,;-2.5,-4.26,;-3.27,-2.92,;.3,.66,;-1.03,-.11,)|
Structure:
Search PDB for entries with ligand similarity: