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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50461471'   
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)
BDBM50461471
PNG
(CHEMBL4225481)
Show SMILES Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O4/c22-21-23-17-10-14(13-5-2-1-3-6-13)9-15(11-18(25)26)19(17)20(27)24(21)12-16-7-4-8-28-16/h1-3,5-6,9-10,16H,4,7-8,11-12H2,(H2,22,23)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair