Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50334172'   

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))	BDBM50334172 (3-(2-Fluoroethyl)-1'-(3-methylbut-2-en-1-yl)-3H-sp...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](-[#6]-[#6]F)-c1ccccc21 Show InChI InChI=1S/C19H26FNO/c1-15(2)8-12-21-13-9-19(10-14-21)17-6-4-3-5-16(17)18(22-19)7-11-20/h3-6,8,18H,7,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by scintillation counting				Bioorg Med Chem 19: 393-405 (2011) Article DOI: 10.1016/j.bmc.2010.11.013 BindingDB Entry DOI: 10.7270/Q23F4PWG
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