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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50322344'   
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)
BDBM50322344
PNG
((R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)ph...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19|
Show InChI InChI=1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min


Bioorg Med Chem 18: 4928-38 (2010)


Article DOI: 10.1016/j.bmc.2010.06.010
More data for this
Ligand-Target Pair