Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50058008'   

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 (RAT)	BDBM50058008 (1-(2-Fluoro-ethyl)-4-(4-iodo-phenoxymethyl)-piperi...) Show SMILES FCCN1CCC(COc2ccc(I)cc2)CC1 Show InChI InChI=1S/C14H19FINO/c15-7-10-17-8-5-12(6-9-17)11-18-14-3-1-13(16)2-4-14/h1-4,12H,5-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig membranes				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
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