Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50064954'   

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))	BDBM50064954 (CHEMBL76547 | N-(1-Benzyl-piperidin-4-yl)-2-(2,4-d...) Show SMILES Fc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(F)c1 Show InChI InChI=1S/C20H22F2N2O/c21-17-7-6-16(19(22)13-17)12-20(25)23-18-8-10-24(11-9-18)14-15-4-2-1-3-5-15/h1-7,13,18H,8-12,14H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.87	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 Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand				J Med Chem 41: 2361-70 (1998) Article DOI: 10.1021/jm980032l BindingDB Entry DOI: 10.7270/Q2RN36Z5
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