Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50029787'   

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))	BDBM50029787 (5-(3-Hydroxy-phenyl)-8-[1-(4-iodo-phenyl)-meth-(E)...) Show SMILES CN1CCC2(CC1C(=Cc1ccc(I)cc1)C(=O)C2)c1cccc(O)c1 |w:8.9| Show InChI InChI=1S/C22H22INO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to inhibit [3H]-(+)-pentazocine binding to guinea pig brain Sigma receptor type 1				J Med Chem 38: 4776-85 (1996) BindingDB Entry DOI: 10.7270/Q2XW4HVW
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