Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50255655'   

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))	BDBM50255655 (9-Allyl-9-azabicyclo[3.3.1]nonan-3-yl 2-methoxy-5-...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CC=C |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C20H28N2O3/c1-4-10-22-15-6-5-7-16(22)13-17(12-15)25-20(23)21-18-11-14(2)8-9-19(18)24-3/h4,8-9,11,15-17H,1,5-7,10,12-13H2,2-3H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
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