Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50035114'   

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))	BDBM50035114 (1'-[4-(1-methylsulfonyl-1H-3-indolyl)butyl]spiro[1...) Show SMILES CS(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C25H30N2O3S/c1-31(28,29)27-18-20(22-10-3-5-12-24(22)27)8-6-7-15-26-16-13-25(14-17-26)23-11-4-2-9-21(23)19-30-25/h2-5,9-12,18H,6-8,13-17,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50035114 (1'-[4-(1-methylsulfonyl-1H-3-indolyl)butyl]spiro[1...) Show SMILES CS(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C25H30N2O3S/c1-31(28,29)27-18-20(22-10-3-5-12-24(22)27)8-6-7-15-26-16-13-25(14-17-26)23-11-4-2-9-21(23)19-30-25/h2-5,9-12,18H,6-8,13-17,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
					More data for this Ligand-Target Pair