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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50173736'   
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)		BDBM50173736
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)CCc1ccccc1
Show InChI InChI=1S/C30H35Br2N3O8/c31-14-6-16-42-27(29(40)33-24-21-11-5-4-10-20(21)18-22(24)36)25(38)26(39)28(43-17-7-15-32)30(41)35-34-23(37)13-12-19-8-2-1-3-9-19/h1-11,14-15,22,24-28,36,38-39H,12-13,16-18H2,(H,33,40)(H,34,37)(H,35,41)/b14-6+,15-7+/t22-,24+,25-,26-,27-,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9n/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