Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50206576'   

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))	BDBM50206576 (CHEMBL222444 | methyl (1R,2S/1S,2R)-1-(4-nitrophen...) Show SMILES COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H24N4O4/c1-29-20(26)21(16-5-7-18(8-6-16)25(27)28)14-17(21)15-23-10-12-24(13-11-23)19-4-2-3-9-22-19/h2-9,17H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	769	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea pig brain sigma 1 receptor				J Med Chem 50: 951-61 (2007) Article DOI: 10.1021/jm0611197 BindingDB Entry DOI: 10.7270/Q2GH9HN8
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