Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50172914'   

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))	BDBM50172914 ((S)-2-(2-Piperidin-1-yl-ethyl)-3-thioxo-2,3,10,10a...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=S)n1CCN1CCCCC1 Show InChI InChI=1S/C18H23N3OS/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
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