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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50010846'   
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)		BDBM50010846
PNG
(CHEMBL3264806)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CC1)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C39H52N4O4/c1-4-19-43(20-5-2)38(46)31-24-30(25-33(26-31)42-21-10-7-11-22-42)37(45)41-35(23-29-13-8-6-9-14-29)36(44)28-40-39(17-18-39)32-15-12-16-34(27-32)47-3/h6,8-9,12-16,24-27,35-36,40,44H,4-5,7,10-11,17-23,28H2,1-3H3,(H,41,45)/t35-,36+/m0/s1
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MMDB

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Similars
Article
PubMed
n/an/a 150n/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