Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50061975
Substrate
n/a
Meas. Tech.
ChEMBL_1462104 (CHEMBL3396811)
IC50
100±n/a nM
Citation
 Abdel-Magid, AF The role of enhancer of zeste homologue 2 inhibitors in controlling epigenetics and their potential for cancer treatment. ACS Med Chem Lett 6:108-9 (2015) [PubMed]  Article 
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:
BDBM50061975
Synonyms:
CHEMBL3394229
Type:
Small organic molecule
Emp. Form.:
C25H30ClN3O3
Mol. Mass.:
455.977
SMILES:
Cc1cc2CC\C=C\Cc3c(O[C@H]4CC[C@H](N)CC4)cc(Cl)cc3C(=O)NCc2c(=O)[nH]1 |r,wU:12.11,wD:15.15,t:6,(6.34,-.86,;5.12,-.66,;4.14,-1.85,;2.63,-1.6,;1.78,-2.88,;.28,-3.15,;-.93,-2.21,;-.84,-.68,;-2.18,.02,;-2.72,1.46,;-4.26,1.53,;-5.09,.23,;-6.63,.31,;-7.46,-.99,;-9,-.91,;-9.7,.46,;-10.93,.52,;-8.87,1.75,;-7.33,1.68,;-4.97,2.9,;-4.14,4.19,;-4.7,5.29,;-2.6,4.13,;-1.89,2.76,;-.34,2.93,;.08,4.09,;.77,1.82,;.59,.29,;2.08,-.15,;3.06,1.04,;2.63,2.19,;4.58,.78,)|
Structure:
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