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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50010894'   
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)		BDBM50010894
PNG
(CHEMBL3264800)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(O)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H52N4O4/c1-5-18-42(19-6-2)37(46)30-23-29(24-32(25-30)41-20-11-8-12-21-41)36(45)40-34(22-28-14-9-7-10-15-28)35(44)27-39-38(3,4)31-16-13-17-33(43)26-31/h7,9-10,13-17,23-26,34-35,39,43-44H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,45)/t34-,35+/m0/s1
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Similars
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-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