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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin 2' and Ligand = 'BDBM50390633'   
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
Plasmepsin 2


(Plasmodium falciparum)
BDBM50390633
PNG
(CHEMBL2069612)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1)[C@@H](C)CC |r|
Show InChI InChI=1S/C44H57ClN6O6/c1-6-8-21-48-40(53)27-39(52)38(25-28(3)4)50-44(56)41(29(5)7-2)51-43(55)31-12-17-34(18-13-31)57-33-15-10-30(11-16-33)42(54)49-23-9-22-46-36-20-24-47-37-26-32(45)14-19-35(36)37/h10-20,24,26,28-29,38-39,41,52H,6-9,21-23,25,27H2,1-5H3,(H,46,47)(H,48,53)(H,49,54)(H,50,56)(H,51,55)/t29-,38-,39-,41-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5915-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.069
BindingDB Entry DOI: 10.7270/Q2M046HX
More data for this
Ligand-Target Pair