Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50012204'   

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))	BDBM50012204 (CHEMBL3259962) Show SMILES CN(C)c1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c2c1 Show InChI InChI=1S/C39H56N4O3/c1-40(2)32-20-21-35-36(29-32)39(45)43(38(35)44)23-8-3-4-9-28-46-37-19-11-17-33-30(13-10-18-34(33)37)14-12-22-41-24-26-42(27-25-41)31-15-6-5-7-16-31/h11,17,19-21,29-31H,3-10,12-16,18,22-28H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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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