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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50010849'   
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)		BDBM50010849
PNG
(CHEMBL3264808)
Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-15-12-16-32(25-30)45-3)38-26-34(42)33(21-27-13-6-4-7-14-27)39-35(43)28-22-29(36(44)41-19-10-11-20-41)24-31(23-28)40-17-8-5-9-18-40/h4,6-7,12-16,22-25,33-34,38,42H,5,8-11,17-21,26H2,1-3H3,(H,39,43)/t33-,34+/m0/s1
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Similars
Article
PubMed
n/an/a 500n/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 by FRET ass...

ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair