Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50274838'   

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))	BDBM50274838 (CHEMBL456437 | trans-4-(4-Phenylcyclohexyl)-1-(2-p...) Show SMILES C1C[C@@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,wD:5.6,(4.97,-44.46,;3.64,-45.24,;3.65,-46.77,;4.98,-47.54,;6.31,-46.77,;6.31,-45.23,;7.64,-44.46,;8.97,-45.24,;10.3,-44.47,;10.31,-42.94,;8.97,-42.16,;7.63,-42.93,;11.64,-42.17,;11.64,-40.64,;12.97,-39.87,;14.31,-40.64,;14.3,-42.19,;12.97,-42.95,;2.32,-47.55,;.98,-46.79,;-.34,-47.56,;-.35,-49.1,;.99,-49.87,;2.32,-49.1,)| Show InChI InChI=1S/C21H27N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-8,13,19-20H,9-12,14-17H2/t19-,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum				J Med Chem 51: 7523-31 (2009) Article DOI: 10.1021/jm800965b BindingDB Entry DOI: 10.7270/Q21837D3
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