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BDBM50513855 CHEMBL4439654

SMILES: COc1cccc(OCCc2ccc(cc2)C2=C(C3CN(CC(C2)N3)C(C)=O)C(=O)N(C)CCc2ccccc2)c1

InChI Key: InChIKey=FMVAGEUNJUSIKU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513855   
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)		BDBM50513855
PNG
(CHEMBL4439654)
Show SMILES COc1cccc(OCCc2ccc(cc2)C2=C(C3CN(CC(C2)N3)C(C)=O)C(=O)N(C)CCc2ccccc2)c1 |t:17|
Show InChI InChI=1S/C34H39N3O4/c1-24(38)37-22-28-20-31(27-14-12-26(13-15-27)17-19-41-30-11-7-10-29(21-30)40-3)33(32(23-37)35-28)34(39)36(2)18-16-25-8-5-4-6-9-25/h4-15,21,28,32,35H,16-20,22-23H2,1-3H3
PDB
MMDB

KEGG

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PC cid
PC sid
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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