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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EHMT2' and Ligand = 'BDBM50457744'   
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 EHMT2


(Homo sapiens (Human))
BDBM50457744
PNG
(CHEMBL4204482)
Show SMILES COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
Show InChI InChI=1S/C33H46N4O3/c1-23(2)37-15-10-33(11-16-37)21-25(22-33)34-27-19-29(30-9-8-24(3)40-30)35-28-20-32(31(38-4)18-26(27)28)39-17-7-14-36-12-5-6-13-36/h8-9,18-20,23,25H,5-7,10-17,21-22H2,1-4H3,(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



WuXi Apptec (Tianjin) Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay


J Med Chem 61: 6546-6573 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01925
BindingDB Entry DOI: 10.7270/Q2BP05CM
More data for this
Ligand-Target Pair