Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM321286'   

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))	BDBM321286 (N-(2-(benzyl(methyl)amino)ethyl)-4-nitrobenzamide ...) Show SMILES CN(CCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1 Show InChI InChI=1S/C17H19N3O3/c1-19(13-14-5-3-2-4-6-14)12-11-18-17(21)15-7-9-16(10-8-15)20(22)23/h2-10H,11-13H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universities of Lille Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting				Eur J Med Chem 138: 964-978 (2017) Article DOI: 10.1016/j.ejmech.2017.07.014 BindingDB Entry DOI: 10.7270/Q2GT5QQ7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM321286 (N-(2-(benzyl(methyl)amino)ethyl)-4-nitrobenzamide ...) Show SMILES CN(CCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1 Show InChI InChI=1S/C17H19N3O3/c1-19(13-14-5-3-2-4-6-14)12-11-18-17(21)15-7-9-16(10-8-15)20(22)23/h2-10H,11-13H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU) US Patent					Assay Description The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...				US Patent US10179761 (2019) BindingDB Entry DOI: 10.7270/Q2NV9MBG
					More data for this Ligand-Target Pair