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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50074137'   
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)
BDBM50074137
PNG
(CHEMBL3409908)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1/C37H52FN5O5/c1-25(2)22-31(39-34(44)32(23-26(3)4)40-37(47)42-19-9-6-10-20-42)35(45)41-33(27-12-7-5-8-13-27)36(46)43-21-11-14-29(43)24-48-30-17-15-28(38)16-18-30/h5,7-8,12-13,15-18,25-26,29,31-33H,6,9-11,14,19-24H2,1-4H3,(H,39,44)(H,40,47)(H,41,45)/t29-,31-,32-,33-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30E+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