BDBM50063801 3,6-Dipropionyl-3H-benzothiazol-2-one::CHEMBL14553

SMILES: CCC(=O)c1ccc2n(C(=O)CC)c(=O)sc2c1

InChI Key: InChIKey=PPKQMPGSPPSHKB-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 = 50063801   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50063801 (3,6-Dipropionyl-3H-benzothiazol-2-one | CHEMBL1455...) Show SMILES CCC(=O)c1ccc2n(C(=O)CC)c(=O)sc2c1 Show InChI InChI=1S/C13H13NO3S/c1-3-10(15)8-5-6-9-11(7-8)18-13(17)14(9)12(16)4-2/h5-7H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Louvain Curated by ChEMBL					Assay Description The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand				J Med Chem 41: 1138-45 (1998) Article DOI: 10.1021/jm970682+ BindingDB Entry DOI: 10.7270/Q29S1Q5N
					More data for this Ligand-Target Pair