Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50137617'   

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))	BDBM50137617 (CHEMBL64260 | N-[2-(6,7-Dimethoxy-3,4-dihydro-1H-i...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.04E+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 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)	BDBM50137617 (CHEMBL64260 | N-[2-(6,7-Dimethoxy-3,4-dihydro-1H-i...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate				Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137617 (CHEMBL64260 | N-[2-(6,7-Dimethoxy-3,4-dihydro-1H-i...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to Sigma opioid receptor of guiena pig brain membrane				Bioorg Med Chem Lett 14: 195-202 (2003) BindingDB Entry DOI: 10.7270/Q2CV4H45
					More data for this Ligand-Target Pair