Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50445476'   

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))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT)				Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Greifswald Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				Bioorg Med Chem 22: 221-33 (2013) Article DOI: 10.1016/j.bmc.2013.11.033 BindingDB Entry DOI: 10.7270/Q2SF2XM7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT)				Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Greifswald Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cells				Bioorg Med Chem 22: 221-33 (2013) Article DOI: 10.1016/j.bmc.2013.11.033 BindingDB Entry DOI: 10.7270/Q2SF2XM7
					More data for this Ligand-Target Pair