Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM227711
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA), Protocol 1
pH
8±n/a
Temperature
298.15±n/a K
IC50
32.0±0 nM
Comments
extracted
Citation
 Burgess, JLKnight, SD Enhancer of zeste homolog 2 inhibitors US Patent  US9556157 Publication Date 1/31/2017 
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:
BDBM227711
Synonyms:
US9556157, 2 | n-((2,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)methyl)-5-(((trans)-4-(dimethylamino)cyclohexyl)(ethyl)amino)-4-methylthiophene-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H36N4O2S
Mol. Mass.:
444.633
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C |r,wU:6.9,wD:3.2,(4.82,-1.84,;3.73,-2.93,;2.25,-2.53,;1.16,-3.62,;-.33,-3.22,;-1.42,-4.31,;-1.02,-5.8,;.47,-6.2,;1.55,-5.11,;-2.11,-6.89,;-3.6,-6.49,;-1.71,-8.38,;1.85,-1.05,;.38,-.57,;.38,.97,;1.85,1.45,;1.85,2.99,;3.18,3.76,;.51,3.76,;.51,5.3,;-.82,6.07,;-.82,7.61,;.51,8.38,;-2.15,8.38,;-3.49,7.61,;-4.82,8.38,;-3.49,6.07,;-2.15,5.3,;-2.15,3.76,;2.75,.2,;4.24,.6,)|
Structure:
Search PDB for entries with ligand similarity: