Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50255708'   

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))	BDBM50255708 (9-(4-(2-Fluoroethyl)benzyl)-9-azabicyclo[3.3.1]non...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(CCF)cc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C26H33FN2O3/c1-18-6-11-25(31-2)24(14-18)28-26(30)32-23-15-21-4-3-5-22(16-23)29(21)17-20-9-7-19(8-10-20)12-13-27/h6-11,14,21-23H,3-5,12-13,15-17H2,1-2H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.71E+3	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-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
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