Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50502559'   

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))	BDBM50502559 (CHEMBL4463741) Show SMILES [O-][N+](=O)c1ccc2CCN(CCCCN3C(=O)CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C22H25N3O3/c26-22-10-8-18-5-1-2-6-21(18)24(22)13-4-3-12-23-14-11-17-7-9-20(25(27)28)15-19(17)16-23/h1-2,5-7,9,15H,3-4,8,10-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting...				Eur J Med Chem 180: 268-282 (2019) Article DOI: 10.1016/j.ejmech.2019.07.012 BindingDB Entry DOI: 10.7270/Q2ST7T3Z
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