Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50243682'   

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))	BDBM50243682 (CHEMBL4102036) Show SMILES COc1cc2CCN(CCCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C23H28F3N3O4/c1-32-21-12-16-8-11-28(15-17(16)13-22(21)33-2)10-5-3-4-9-27-18-6-7-20(29(30)31)19(14-18)23(24,25)26/h6-7,12-14,27H,3-5,8-11,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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 sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
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