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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50074146'   
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)
BDBM50074146
PNG
(CHEMBL3409899)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C(=O)N[C@H](C(=O)N1CCN=C1COc1ccc(F)cc1)c1ccccc1 |r,c:32|
Show InChI InChI=1/C35H47FN6O6/c1-23(2)20-28(38-32(43)29(21-24(3)4)39-35(46)41-16-18-47-19-17-41)33(44)40-31(25-8-6-5-7-9-25)34(45)42-15-14-37-30(42)22-48-27-12-10-26(36)11-13-27/h5-13,23-24,28-29,31H,14-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,44)/t28-,29-,31-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay


Bioorg Med Chem 23: 2221-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.062
More data for this
Ligand-Target Pair