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BDBM50513825 CHEMBL4573790

SMILES: CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1

InChI Key: InChIKey=LPOBPKULTJYKLH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513825   
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)		BDBM50513825
PNG
(CHEMBL4573790)
Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1 |t:13|
Show InChI InChI=1S/C34H36F3N3O4/c1-23(41)40-21-27-19-30(32(31(22-40)38-27)33(42)39(2)17-15-24-7-4-3-5-8-24)26-13-11-25(12-14-26)16-18-43-28-9-6-10-29(20-28)44-34(35,36)37/h3-14,20,27,31,38H,15-19,21-22H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay

J Med Chem 62: 8931-8950 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00184
More data for this
Ligand-Target Pair