Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50055065'   

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))	BDBM50055065 (CHEMBL3323512) Show SMILES CN1CCN(C2C(CCCC12)N1CCC(O)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H29Cl2N3O2/c1-24-9-10-26(20(28)12-14-5-6-16(22)17(23)11-14)21-18(24)3-2-4-19(21)25-8-7-15(27)13-25/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	818	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
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