Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50396358'   

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))	BDBM50396358 (CHEMBL2170056) Show SMILES CC(=O)c1c(C)n(nc1OCCN1CCOCC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H21Cl2N3O3/c1-12-17(13(2)24)18(26-10-7-22-5-8-25-9-6-22)21-23(12)14-3-4-15(19)16(20)11-14/h3-4,11H,5-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
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