Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50210268'   

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))	BDBM50210268 (CHEMBL3984952) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCN |TLB:22:21:16.18.17:20.13.14,THB:12:13:21:16.18.17| Show InChI InChI=1S/C27H45N3O3/c1-21-14-15-26(32-2)25(18-21)29-27(31)33-24-19-22-12-11-13-23(20-24)30(22)17-10-8-6-4-3-5-7-9-16-28/h14-15,18,22-24H,3-13,16-17,19-20,28H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Eur J Med Chem 124: 649-665 (2016) Article DOI: 10.1016/j.ejmech.2016.08.067 BindingDB Entry DOI: 10.7270/Q2MS3VSX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50210268 (CHEMBL3984952) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCN |TLB:22:21:16.18.17:20.13.14,THB:12:13:21:16.18.17| Show InChI InChI=1S/C27H45N3O3/c1-21-14-15-26(32-2)25(18-21)29-27(31)33-24-19-22-12-11-13-23(20-24)30(22)17-10-8-6-4-3-5-7-9-16-28/h14-15,18,22-24H,3-13,16-17,19-20,28H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against porcine plasma Angiotensin I converting enzyme				Citation and Details
					More data for this Ligand-Target Pair