Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50351990'   

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))	BDBM50351990 (CHEMBL1822597) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCOc2cccc3C(CCCN4CCN(CC4)C4CCCCC4)CCCc23)c2nonc12 Show InChI InChI=1S/C35H50N6O4/c42-41(43)32-19-18-31(34-35(32)38-45-37-34)36-20-6-1-2-7-26-44-33-17-9-15-29-27(11-8-16-30(29)33)12-10-21-39-22-24-40(25-23-39)28-13-4-3-5-14-28/h9,15,17-19,27-28,36H,1-8,10-14,16,20-26H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain membrane				J Med Chem 54: 5858-67 (2011) Article DOI: 10.1021/jm200591t BindingDB Entry DOI: 10.7270/Q2KK9C5Z
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