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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50145779'   
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
Plasmepsin II


(Plasmodium falciparum)
BDBM50145779
PNG
(CHEMBL3765557)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CC(CO1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-25-27-23-14-19(17-7-3-1-4-8-17)11-12-22(23)24(29)28(25)15-21-13-20(16-30-21)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...


J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair