BDBM50303372 3,3-Diethyl-1-(4-((phenylthio)methyl)phenyl)azetidine-2,4-dione::CHEMBL566934

SMILES: CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2ccccc2)cc1

InChI Key: InChIKey=ZHQAUPKAHBDBOS-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 = 50303372   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50303372 (3,3-Diethyl-1-(4-((phenylthio)methyl)phenyl)azetid...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2ccccc2)cc1 Show InChI InChI=1S/C20H21NO2S/c1-3-20(4-2)18(22)21(19(20)23)16-12-10-15(11-13-16)14-24-17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair