Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50275322'   

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))	BDBM50275322 (CHEMBL485929 | cis-1-(4-(4-methoxyphenyl)cyclohexy...) Show SMILES COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)| Show InChI InChI=1S/C22H29N3O/c1-26-21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-14-16-25(17-15-24)22-4-2-3-13-23-22/h2-4,7-8,11-13,18,20H,5-6,9-10,14-17H2,1H3/t18-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	194	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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