Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50029788'   

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))	BDBM50029788 (8-[1-(3,4-Dichloro-phenyl)-meth-(E)-ylidene]-5-(3-...) Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to inhibit [3H]-(+)-pentazocine binding to guinea pig brain Sigma receptor type 1				J Med Chem 38: 4776-85 (1996) BindingDB Entry DOI: 10.7270/Q2XW4HVW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50029788 (8-[1-(3,4-Dichloro-phenyl)-meth-(E)-ylidene]-5-(3-...) Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma receptor of guinea pig brain				J Med Chem 37: 3163-70 (1994) BindingDB Entry DOI: 10.7270/Q2F18XSH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50029788 (8-[1-(3,4-Dichloro-phenyl)-meth-(E)-ylidene]-5-(3-...) Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to inhibit [3H]-(+)-pentazocine binding to guinea pig brain Sigma receptor type 1				J Med Chem 38: 4776-85 (1996) BindingDB Entry DOI: 10.7270/Q2XW4HVW
					More data for this Ligand-Target Pair