Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50077866'   

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))	BDBM50077866 (CHEMBL3417075) Show SMILES Clc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1Cl Show InChI InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-1-5-22-6-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	508	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
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