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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50514485'   
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 II


(Plasmodium falciparum)		BDBM50514485
PNG
(CHEMBL4580614)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C36H48N2O2/c1-5-6-7-8-29-9-15-33(16-10-29)36(39)38(34-22-25-37(26-23-34)24-21-28(2)3)27-30-11-13-31(14-12-30)32-17-19-35(40-4)20-18-32/h9-20,28,34H,5-8,21-27H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 by FRET assay

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
More data for this
Ligand-Target Pair