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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50322343'   
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)
BDBM50322343
PNG
((R)-Methyl4-(2-(5-(4-bromophenyl)-3-((4-chloro-2-(...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(Br)cc1 |r,c:19|
Show InChI InChI=1S/C31H25BrClF3N4O6/c1-45-27(42)7-4-14-37-26(41)16-40-25-6-3-2-5-21(25)28(18-8-10-19(32)11-9-18)38-24(29(40)43)17-46-30(44)39-23-13-12-20(33)15-22(23)31(34,35)36/h2-13,15,24H,14,16-17H2,1H3,(H,37,41)(H,39,44)/b7-4+/t24-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.56E+3n/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