Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50081371'   

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))	BDBM50081371 (CHEMBL128799 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C23H33NO2/c1-4-9-21(24-15-5-2)17-20-12-13-22(25-3)23(18-20)26-16-14-19-10-7-6-8-11-19/h6-8,10-13,18,21,24H,4-5,9,14-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081371 (CHEMBL128799 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C23H33NO2/c1-4-9-21(24-15-5-2)17-20-12-13-22(25-3)23(18-20)26-16-14-19-10-7-6-8-11-19/h6-8,10-13,18,21,24H,4-5,9,14-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description TIn vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair