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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50173749'   
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 I


(Plasmodium falciparum)		BDBM50173749
PNG
((2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-d...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\Br)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\Br)C(=O)NNC(=O)CCCc1ccccc1
Show InChI InChI=1S/C31H37Br2N3O8/c32-15-7-17-43-28(30(41)34-25-22-13-5-4-12-21(22)19-23(25)37)26(39)27(40)29(44-18-8-16-33)31(42)36-35-24(38)14-6-11-20-9-2-1-3-10-20/h1-5,7-10,12-13,15-16,23,25-29,37,39-40H,6,11,14,17-19H2,(H,34,41)(H,35,38)(H,36,42)/b15-7+,16-8+/t23-,25+,26-,27-,28-,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition constant against plasmepsin 1 of Plasmodium falciparum, 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate

J Med Chem 48: 6090-106 (2005)


Article DOI: 10.1021/jm050463l
BindingDB Entry DOI: 10.7270/Q2Z037QR
More data for this
Ligand-Target Pair