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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphoethanolamine N-methyltransferase' and Ligand = 'BDBM22985'   
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
Phosphoethanolamine N-methyltransferase


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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PC cid
PC sid
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Article
PubMed
n/an/a 5.54E+5n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum phosphoethanolamine methyltransferase using phospethanolamine as substrate by radiochemical assay in presence of ...


Bioorg Med Chem Lett 22: 4990-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.032
BindingDB Entry DOI: 10.7270/Q29G5NWN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)