Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50172868'   

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))	BDBM50172868 ((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor in human Jurkat cell membranes incubated for 2 hrs by liquid scintillation counting				Eur J Med Chem 89: 198-206 (2014) Article DOI: 10.1016/j.ejmech.2014.10.053 BindingDB Entry DOI: 10.7270/Q2XW4MFR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172868 ((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis				Eur J Med Chem 92: 575-82 (2015) Article DOI: 10.1016/j.ejmech.2014.01.013 BindingDB Entry DOI: 10.7270/Q2ZC84JZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50172868 ((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea-pig cerebral cortex sigma 1 receptor after 150 mins				Eur J Med Chem 45: 256-63 (2010) Article DOI: 10.1016/j.ejmech.2009.10.004 BindingDB Entry DOI: 10.7270/Q2MS3SXW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172868 ((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172868 ((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocin from sigma 1 opioid receptor in human Jurkat cells by scintillation counting				Eur J Med Chem 45: 256-63 (2010) Article DOI: 10.1016/j.ejmech.2009.10.004 BindingDB Entry DOI: 10.7270/Q2MS3SXW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172868 ((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocin from sigma 1 opioid receptor in human Jurkat cells by scintillation counting				Eur J Med Chem 45: 256-63 (2010) Article DOI: 10.1016/j.ejmech.2009.10.004 BindingDB Entry DOI: 10.7270/Q2MS3SXW
					More data for this Ligand-Target Pair