BindingDB logo
myBDB logout

BDBM50513835 CHEMBL4459276

SMILES: CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccccc2C(C)(C)C)cc1

InChI Key: InChIKey=REEMUIZDVKHLNE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513835   
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)		BDBM50513835
PNG
(CHEMBL4459276)
Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccccc2C(C)(C)C)cc1 |t:13|
Show InChI InChI=1S/C37H45N3O3/c1-26(41)40-24-30-23-31(35(33(25-40)38-30)36(42)39(5)21-19-27-11-7-6-8-12-27)29-17-15-28(16-18-29)20-22-43-34-14-10-9-13-32(34)37(2,3)4/h6-18,30,33,38H,19-25H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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