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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50010660'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50010660
PNG
(CHEMBL3264749)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H28N2O2/c1-21(2)14-17(15-22(3,4)24-21)23-20(25)16-10-12-19(13-11-16)26-18-8-6-5-7-9-18/h5-13,17,24H,14-15H2,1-4H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type EZH2 (unknown origin)


ACS Med Chem Lett 5: 378-83 (2014)


Article DOI: 10.1021/ml400494b
BindingDB Entry DOI: 10.7270/Q2BP04BR
More data for this
Ligand-Target Pair