Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50054729'   

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))	BDBM50054729 ((2S,5R)-2,5-Dimethyl-1,4-bis-(3-phenyl-propyl)-pip...) Show SMILES C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1 Show InChI InChI=1S/C24H34N2/c1-21-19-26(18-10-16-24-13-7-4-8-14-24)22(2)20-25(21)17-9-15-23-11-5-3-6-12-23/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3/t21-,22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	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 Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) binding assay				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
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