Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50321802'   

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))	BDBM50321802 ((R)-6'-methoxy-1-(3-methylbut-2-enyl)-6',7'-dihydr...) Show SMILES [#6]-[#8]-[#6@H]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1 |r| Show InChI InChI=1S/C17H25NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h4-5,11,16H,6-10,12H2,1-3H3/t16-/m1/s1	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
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Eur J Med Chem 45: 3116-24 (2010) Article DOI: 10.1016/j.ejmech.2010.03.048 BindingDB Entry DOI: 10.7270/Q2XD11V4
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