BDBM50513863 CHEMBL4472368

SMILES: OS(=O)(=O)c1cc(Cl)c(cc1NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)C(F)(F)F

InChI Key: InChIKey=RPCWNSFCSQFTHR-UHFFFAOYSA-N

Data: 1 KI

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 = 50513863   

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)	BDBM50513863 (CHEMBL4472368) Show SMILES OS(=O)(=O)c1cc(Cl)c(cc1NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C20H12Cl3F3N2O5S/c21-10-1-4-12(5-2-10)33-17-6-3-11(7-15(17)23)27-19(29)28-16-8-13(20(24,25)26)14(22)9-18(16)34(30,31)32/h1-9H,(H2,27,28,29)(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	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 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184
					More data for this Ligand-Target Pair