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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 = 'BDBM50512662'   
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))
BDBM50512662
PNG
(CHEMBL4464846)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)CCO)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O2/c1-31-11-6-12-34(16-15-31)27-29-24-19-21(7-5-10-32(2)17-18-35)25(36-4)20-23(24)26(30-27)28-22-8-13-33(3)14-9-22/h19-20,22,35H,5-18H2,1-4H3,(H,28,29,30)
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PC cid
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Article
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n/an/a 12n/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