Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50016278'   

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 (Cavia porcellus (Guinea pig))	BDBM50016278 (CHEMBL3262529) Show SMILES COc1ccccc1-n1cc(nn1)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C23H27N5O4/c1-30-20-7-5-4-6-19(20)28-15-18(25-26-28)23(29)24-9-11-27-10-8-16-12-21(31-2)22(32-3)13-17(16)14-27/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...				J Med Chem 57: 4239-51 (2014) Article DOI: 10.1021/jm5001453 BindingDB Entry DOI: 10.7270/Q20P11KX
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