BDBM50318686 4-(Azepan-1-yl)-1,2,5-thiadiazol-3-yl morpholine-4-carboxylate::CHEMBL1082839

SMILES: O=C(Oc1nsnc1N1CCCCCC1)N1CCOCC1

InChI Key: InChIKey=KHGPRWSBSDNGBL-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 = 50318686   

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
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318686 (4-(Azepan-1-yl)-1,2,5-thiadiazol-3-yl morpholine-4...) Show SMILES O=C(Oc1nsnc1N1CCCCCC1)N1CCOCC1 Show InChI InChI=1S/C13H20N4O3S/c18-13(17-7-9-19-10-8-17)20-12-11(14-21-15-12)16-5-3-1-2-4-6-16/h1-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair