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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50193706'   
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))
BDBM50193706
PNG
(CHEMBL3967105)
Show SMILES Cc1cc(C)c(CN2CCc3ccc(O[C@@H]4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23ClN2O4/c1-12-9-13(2)23-20(25)16(12)10-24-7-5-14-3-4-17(19(22)18(14)21(24)26)28-15-6-8-27-11-15/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193706
PNG
(CHEMBL3967105)
Show SMILES Cc1cc(C)c(CN2CCc3ccc(O[C@@H]4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23ClN2O4/c1-12-9-13(2)23-20(25)16(12)10-24-7-5-14-3-4-17(19(22)18(14)21(24)26)28-15-6-8-27-11-15/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 796n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27Me3 levels after 72 hrs by ELISA


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair