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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 = 'BDBM50193726'   
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))
BDBM50193726
PNG
(CHEMBL3914083)
Show SMILES COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl
Show InChI InChI=1S/C16H17ClN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01208
BindingDB Entry DOI: 10.7270/Q25X2DZR
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193726
PNG
(CHEMBL3914083)
Show SMILES COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl
Show InChI InChI=1S/C16H17ClN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+3n/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