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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain 2' and Ligand = 'BDBM50243178'   
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
Falcipain 2


(Plasmodium falciparum)
BDBM50243178
PNG
((S)-methyl 4-(3-(benzyloxycarbonyl)-2-oxopyridin-1...)
Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C26H26N2O5/c1-32-24(29)17-16-22(15-14-20-9-4-2-5-10-20)28-18-8-13-23(25(28)30)27-26(31)33-19-21-11-6-3-7-12-21/h2-13,16-18,22H,14-15,19H2,1H3,(H,27,31)/b17-16+/t22-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Algarve

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2


Bioorg Med Chem Lett 18: 4210-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.068
BindingDB Entry DOI: 10.7270/Q27H1JDB
More data for this
Ligand-Target Pair