Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50145014'   

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))	BDBM50145014 (1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...) Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.				J Med Chem 47: 2308-17 (2004) Article DOI: 10.1021/jm031026e BindingDB Entry DOI: 10.7270/Q2DN44HS
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