Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50431040'   

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))	BDBM50431040 (CHEMBL2338342) Show SMILES CC(C)CCOc1ccc2N[C@H](C3CCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r| Show InChI InChI=1S/C22H33NO2/c1-15(2)11-13-24-17-9-10-20-19(14-17)22-18(8-5-12-25-22)21(23-20)16-6-3-4-7-16/h9-10,14-16,18,21-23H,3-8,11-13H2,1-2H3/t18-,21+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	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 sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis				J Med Chem 56: 3656-65 (2013) Article DOI: 10.1021/jm400181k BindingDB Entry DOI: 10.7270/Q2NK3GC7
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