Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50331298'   

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))	BDBM50331298 ((+/-)-7-(Benzyloxy)-3-{3-[2-(4-tert-butylphenyl)-5...) Show SMILES CC(C)(C)c1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1 Show InChI InChI=1S/C36H47NO4/c1-34(2,3)29-12-14-30(15-13-29)36(40-25-35(4,5)26-41-36)19-9-20-37-21-18-28-22-31(16-17-32(28)33(38)23-37)39-24-27-10-7-6-8-11-27/h6-8,10-17,22,33,38H,9,18-21,23-26H2,1-5H3	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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