Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50039191'   

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)	BDBM50039191 (1-(3,4-Dichloro-phenyl)-cyclohexanecarboxylic acid...) Show SMILES CCN(CC)CCOCNC(=O)C1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H30Cl2N2O2/c1-3-24(4-2)12-13-26-15-23-19(25)20(10-6-5-7-11-20)16-8-9-17(21)18(22)14-16/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Tested for its binding affinity towards sigma-1 site in rat brain using E3H1-(+)-SKF 10047 as radioligand in rat brain				J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS
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