Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50002320'   

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 (RAT)	BDBM50002320 (4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Br)cn1 Show InChI InChI=1S/C18H20BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13H,1-2,7-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
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