Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50172889'   

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))	BDBM50172889 ((S)-2-[3-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C26H30N4O4/c31-25-22-15-20-4-1-2-5-21(20)17-30(22)26(32)29(25)9-3-8-27-10-12-28(13-11-27)16-19-6-7-23-24(14-19)34-18-33-23/h1-2,4-7,14,31H,3,8-13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.8	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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