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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50513859'   
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)		BDBM50513859
PNG
(CHEMBL4466309)
Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2ccccc2Cl)C2CC2)c1F |t:18|
Show InChI InChI=1S/C31H30ClF3N2O2/c32-26-6-2-1-5-22(26)19-37(23-11-12-23)31(38)25-18-36-16-15-24(25)21-9-7-20(8-10-21)4-3-17-39-30-28(34)14-13-27(33)29(30)35/h1-2,5-10,13-14,23,36H,3-4,11-12,15-19H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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