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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 = 'BDBM50193662'   
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))
BDBM50193662
PNG
(CHEMBL3911607)
Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4cn[nH]c4)c(Cl)c3C2=O)c(=O)[nH]1
Show InChI InChI=1S/C20H18Cl2N4O2/c1-10-5-11(2)25-19(27)15(10)9-26-4-3-13-16(21)6-14(12-7-23-24-8-12)18(22)17(13)20(26)28/h5-8H,3-4,9H2,1-2H3,(H,23,24)(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/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))
BDBM50193662
PNG
(CHEMBL3911607)
Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4cn[nH]c4)c(Cl)c3C2=O)c(=O)[nH]1
Show InChI InChI=1S/C20H18Cl2N4O2/c1-10-5-11(2)25-19(27)15(10)9-26-4-3-13-16(21)6-14(12-7-23-24-8-12)18(22)17(13)20(26)28/h5-8H,3-4,9H2,1-2H3,(H,23,24)(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.73E+3n/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