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BDBM50513824 CHEMBL4474231

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

InChI Key: InChIKey=UZQMRIJJZJQKAW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513824   
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)		BDBM50513824
PNG
(CHEMBL4474231)
Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cccc(Br)c2)cc1 |t:13|
Show InChI InChI=1S/C33H36BrN3O3/c1-23(38)37-21-28-20-30(26-13-11-25(12-14-26)16-18-40-29-10-6-9-27(34)19-29)32(31(22-37)35-28)33(39)36(2)17-15-24-7-4-3-5-8-24/h3-14,19,28,31,35H,15-18,20-22H2,1-2H3
PDB
MMDB

KEGG

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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