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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Falcipain-2' and Ligand = 'BDBM50322341'   
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)
BDBM50322341
PNG
(CHEMBL1171803 | Methyl4-(2-((R)-3-((4-chloro-2-(tr...)
Show SMILES COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23|
Show InChI InChI=1S/C35H34ClF3N4O6/c1-21(2)17-24(14-16-31(45)48-3)40-30(44)19-43-29-12-8-7-11-25(29)32(22-9-5-4-6-10-22)41-28(33(43)46)20-49-34(47)42-27-15-13-23(36)18-26(27)35(37,38)39/h4-16,18,21,24,28H,17,19-20H2,1-3H3,(H,40,44)(H,42,47)/b16-14+/t24-,28-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.22E+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