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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EHMT1' and Ligand = 'BDBM50512671'   
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 EHMT1


(Homo sapiens (Human))
BDBM50512671
PNG
(CHEMBL4445273)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN)C1CCCCC1
Show InChI InChI=1S/C26H41N5O/c1-18(2)31-14-11-21(12-15-31)28-26-22-17-24(32-3)20(10-7-13-27)16-23(22)29-25(30-26)19-8-5-4-6-9-19/h16-19,21H,4-15,27H2,1-3H3,(H,28,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 179n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X
More data for this
Ligand-Target Pair