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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50339265'   
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)
BDBM50339265
PNG
((Z/E)-(S)-N-isopentyl-4-methyl-2-((1-methyl-2-oxoi...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)N(C)c2ccccc12 |r,w:14.14|
Show InChI InChI=1S/C21H31N3O2/c1-14(2)10-11-22-20(25)18(12-15(3)4)23-13-17-16-8-6-7-9-19(16)24(5)21(17)26/h6-9,13-15,17-18H,10-12H2,1-5H3,(H,22,25)/t17?,18-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair