Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50331317'   

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))	BDBM50331317 ((+/-)-3-(1-Benzoylpiperidin-4-yl)2,3,4,5-tetrahydr...) Show SMILES OC1CN(CCc2cc(O)ccc12)C1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c25-19-6-7-20-17(14-19)8-11-24(15-21(20)26)18-9-12-23(13-10-18)22(27)16-4-2-1-3-5-16/h1-7,14,18,21,25-26H,8-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting				Bioorg Med Chem 18: 8005-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.026 BindingDB Entry DOI: 10.7270/Q28W3DJB
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