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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM12040'   
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)
BDBM12040
PNG
(3-(4-methoxyphenyl)-1-{4-[(2E)-3-(pyridin-3-yl)pro...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19N3O3/c1-28-20-11-9-19(10-12-20)25-22(27)24-18-7-5-17(6-8-18)21(26)13-4-16-3-2-14-23-15-16/h2-15H,1H3,(H2,24,25,27)/b13-4+
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+4n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair