Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50040251'   

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))	BDBM50040251 (CHEMBL3360018) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C\I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
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