Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50016295'   

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))	BDBM50016295 (CHEMBL3262792) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OC)-n3cc(COCCOCCF)nn3)Cc2cc1OC Show InChI InChI=1S/C30H40FN5O6/c1-38-27-7-6-25(36-20-24(33-34-36)21-42-15-14-41-13-9-31)18-26(27)30(37)32-10-4-5-11-35-12-8-22-16-28(39-2)29(40-3)17-23(22)19-35/h6-7,16-18,20H,4-5,8-15,19,21H2,1-3H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+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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