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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50461475'   
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)		BDBM50461475
PNG
(CHEMBL4224896)
Show SMILES Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H25N3O4/c28-27-29-22-14-19(17-7-3-1-4-8-17)13-20(15-24(31)32)25(22)26(33)30(27)16-21-11-12-23(34-21)18-9-5-2-6-10-18/h1-10,13-14,21,23H,11-12,15-16H2,(H2,28,29)(H,31,32)/t21-,23+/m0/s1
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair