Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50012192'   

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))	BDBM50012192 (CHEMBL3259960) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCCCCCOc2cccc3C(CCCN4CCN(CC4)C4CCCCC4)CCCc23)c2nonc12 Show InChI InChI=1S/C39H58N6O4/c46-45(47)36-23-22-35(38-39(36)42-49-41-38)40-24-10-5-3-1-2-4-6-11-30-48-37-21-13-19-33-31(15-12-20-34(33)37)16-14-25-43-26-28-44(29-27-43)32-17-8-7-9-18-32/h13,19,21-23,31-32,40H,1-12,14-18,20,24-30H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor				J Med Chem 57: 3314-23 (2014) Article DOI: 10.1021/jm401874n BindingDB Entry DOI: 10.7270/Q2DB83DF
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