Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50111630'   

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))	BDBM50111630 (6-[4-(4-Benzyl-piperidin-1-yl)-butyl]-3-methyl-3H-...) Show SMILES Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O Show InChI InChI=1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
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