Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma intracellular receptor 2' and Ligand = 'BDBM50243652'   

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 intracellular receptor 2 (Homo sapiens (Human))	BDBM50243652 (CHEMBL4079680) Show SMILES COc1cc2CCN(CCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C20H22F3N3O4/c1-29-18-9-13-5-7-25(12-14(13)10-19(18)30-2)8-6-24-15-3-4-17(26(27)28)16(11-15)20(21,22)23/h3-4,9-11,24H,5-8,12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
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