Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50061258'   

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 (Homo sapiens (Human))	BDBM50061258 (1-(3-Iodobenzyl)-3-[1-methylspiro[2,3-dihydro-1H-i...) Show SMILES CN1CC2(CCN(CC2)[C@@H]2CN(Cc3cccc(I)c3)CC[C@H]2O)c2ccccc12 Show InChI InChI=1S/C25H32IN3O/c1-27-18-25(21-7-2-3-8-22(21)27)10-13-29(14-11-25)23-17-28(12-9-24(23)30)16-19-5-4-6-20(26)15-19/h2-8,15,23-24,30H,9-14,16-18H2,1H3/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
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