Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50172890'   

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))	BDBM50172890 ((S)-2-{2-[4-(3-Dimethylamino-propyl)-piperazin-1-y...) Show SMILES CN(C)CCCN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1 Show InChI InChI=1S/C22H33N5O2/c1-23(2)8-5-9-24-10-12-25(13-11-24)14-15-26-21(28)20-16-18-6-3-4-7-19(18)17-27(20)22(26)29/h3-4,6-7,28H,5,8-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
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