Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50206579'   

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))	BDBM50206579 (CHEMBL426724 | methyl (1R,2S/1S,2R)-2-[(4-benzylpi...) Show SMILES COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H31NO3/c1-28-23-10-8-21(9-11-23)25(24(27)29-2)17-22(25)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,20,22H,12-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea pig brain sigma 1 receptor				J Med Chem 50: 951-61 (2007) Article DOI: 10.1021/jm0611197 BindingDB Entry DOI: 10.7270/Q2GH9HN8
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