BDBM50513821 CHEMBL4564399

SMILES: CCCCCc1ccc(c(Cl)c1)-n1nnc(CCN(CC)CC)c1-c1ccc(cc1)-c1ccc(OC)cc1

InChI Key: InChIKey=KTVKCZOVLWSGEM-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 = 50513821   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Plasmepsin 2 (Plasmodium falciparum)	BDBM50513821 (CHEMBL4564399) Show SMILES CCCCCc1ccc(c(Cl)c1)-n1nnc(CCN(CC)CC)c1-c1ccc(cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C32H39ClN4O/c1-5-8-9-10-24-11-20-31(29(33)23-24)37-32(30(34-35-37)21-22-36(6-2)7-3)27-14-12-25(13-15-27)26-16-18-28(38-4)19-17-26/h11-20,23H,5-10,21-22H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition measured ...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184
					More data for this Ligand-Target Pair