Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50252722'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252722 (6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piper...) Show SMILES COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1 Show InChI InChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
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