Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50502550'   

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))	BDBM50502550 (CHEMBL4454333) Show SMILES [O-][N+](=O)c1ccc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2c1 Show InChI InChI=1S/C21H22N4O4/c26-21-24(22-20(29-21)17-6-2-1-3-7-17)12-5-4-11-23-13-10-16-8-9-19(25(27)28)14-18(16)15-23/h1-3,6-9,14H,4-5,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	829	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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