Reaction Details
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Histone-lysine N-methyltransferase EZH2
Ligand
BDBM227712
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA), Protocol 2
pH
8±n/a
Temperature
298.15±n/a K
IC50
16±0 nM
Comments
extracted
Citation
Burgess, JL; Knight, SD Enhancer of zeste homolog 2 inhibitors US Patent US9556157 Publication Date 1/31/2017 More Info.:
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:
BDBM227712
Synonyms:
US9556157, 3 | n-((5-amino-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.:
C24H37N5O2S
Mol. Mass.:
459.648
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)[nH]c(C)c(N)c2=O)c1C |r,wU:6.9,wD:3.2,(10.32,-9.78,;9.23,-10.87,;7.74,-10.47,;6.66,-11.56,;5.17,-11.16,;4.08,-12.25,;4.48,-13.74,;5.97,-14.14,;7.05,-13.05,;3.39,-14.83,;1.9,-14.43,;3.79,-16.32,;7.35,-8.99,;5.88,-8.51,;5.88,-6.97,;7.35,-6.49,;7.35,-4.95,;8.68,-4.18,;6.01,-4.18,;6.01,-2.64,;4.68,-1.87,;4.68,-.33,;6.01,.44,;3.34,.44,;2.01,-.33,;.68,.44,;2.01,-1.87,;.68,-2.64,;3.34,-2.64,;3.34,-4.18,;8.25,-7.74,;9.74,-7.34,)|
Structure:
