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BDBM50390636 CHEMBL2069615

SMILES: CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1)[C@@H](C)CC

InChI Key: InChIKey=RHIDJRPHIGMMFH-SDWZQKNDSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50390636   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasmepsin 2


(Plasmodium falciparum)
BDBM50390636
PNG
(CHEMBL2069615)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1)[C@@H](C)CC |r|
Show InChI InChI=1S/C39H52N4O6/c1-6-8-22-40-35(45)24-34(44)33(23-26(3)4)42-39(48)36(27(5)7-2)43-38(47)30-16-20-32(21-17-30)49-31-18-14-29(15-19-31)37(46)41-25-28-12-10-9-11-13-28/h9-21,26-27,33-34,36,44H,6-8,22-25H2,1-5H3,(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t27-,33-,34-,36-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/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