Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50353858'   

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 (RAT)	BDBM50353858 (CHEMBL1831169) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccoc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-20-9-13-28(17-22(20)16-27(26)31-2)11-5-6-12-29-18-24(21-10-14-32-19-21)23-7-3-4-8-25(23)29/h3-4,7-8,10,14-16,18-19H,5-6,9,11-13,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
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