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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50513831'   
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)		BDBM50513831
PNG
(CHEMBL4437776)
Show SMILES OS(=O)(=O)c1cc(Cl)c(Cl)cc1Oc1ccc(Cl)cc1NC(=O)Nc1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H11Cl4F3N2O5S/c21-10-2-4-16(34-17-7-12(23)13(24)8-18(17)35(31,32)33)15(6-10)29-19(30)28-14-5-9(20(25,26)27)1-3-11(14)22/h1-8H,(H2,28,29,30)(H,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 50n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...

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