Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50331305'   

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))	BDBM50331305 ((+/-)-3-(1-Benzoylpiperidin-4-yl)-7-benzyloxy-2,3,...) Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32N2O3/c32-28-20-31(25-14-17-30(18-15-25)29(33)23-9-5-2-6-10-23)16-13-24-19-26(11-12-27(24)28)34-21-22-7-3-1-4-8-22/h1-12,19,25,28,32H,13-18,20-21H2	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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