Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50359588'   

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)	BDBM50359588 (CHEMBL1927695) Show SMILES COc1cccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c1OC Show InChI InChI=1S/C22H27N3O5/c1-29-20-7-5-6-19(21(20)30-2)22(26)23-11-3-4-12-24-13-10-16-8-9-18(25(27)28)14-17(16)15-24/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin School of Medicine and Public Health Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 7435-40 (2011) Article DOI: 10.1016/j.bmc.2011.10.046 BindingDB Entry DOI: 10.7270/Q22F7NWW
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