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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50513855'   
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)
BDBM50513855
PNG
(CHEMBL4439654)
Show SMILES COc1cccc(OCCc2ccc(cc2)C2=C(C3CN(CC(C2)N3)C(C)=O)C(=O)N(C)CCc2ccccc2)c1 |t:17|
Show InChI InChI=1S/C34H39N3O4/c1-24(38)37-22-28-20-31(27-14-12-26(13-15-27)17-19-41-30-11-7-10-29(21-30)40-3)33(32(23-37)35-28)34(39)36(2)18-16-25-8-5-4-6-9-25/h4-15,21,28,32,35H,16-20,22-23H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay


J Med Chem 62: 8931-8950 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00184
BindingDB Entry DOI: 10.7270/Q2P55RVR
More data for this
Ligand-Target Pair