Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50331304'   

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))	BDBM50331304 (CHEMBL1290725 | rac-7-Benzyloxy-3-(2-phenyl-1,3-di...) Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1COC(OC1)c1ccccc1 |(-.41,-42.15,;-.02,-43.6,;1.5,-43.85,;2.27,-45.28,;1.61,-46.73,;.09,-47.1,;-1.21,-46.09,;-2.51,-46.84,;-3.81,-46.08,;-5.11,-46.84,;-6.41,-46.09,;-7.71,-46.85,;-9.01,-46.11,;-10.31,-46.86,;-10.31,-48.36,;-9.01,-49.11,;-7.7,-48.36,;-3.82,-44.59,;-2.53,-43.83,;-1.22,-44.58,;3.89,-45.22,;4.75,-46.6,;6.36,-46.55,;7.13,-45.12,;6.27,-43.73,;4.64,-43.78,;8.75,-45.07,;9.6,-46.45,;11.22,-46.41,;11.99,-44.98,;11.13,-43.59,;9.51,-43.65,)| Show InChI InChI=1S/C27H29NO4/c29-26-16-28(23-18-31-27(32-19-23)21-9-5-2-6-10-21)14-13-22-15-24(11-12-25(22)26)30-17-20-7-3-1-4-8-20/h1-12,15,23,26-27,29H,13-14,16-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	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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