Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50527972'   

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))	BDBM50527972 (CHEMBL4476784 | US11634404, Compound 1) Show SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor (unknown origin) after 90 mins by microbeta scintillation counting method				J Med Chem 63: 5526-5567 (2020) Article DOI: 10.1021/acs.jmedchem.0c00424 BindingDB Entry DOI: 10.7270/Q28D00QN
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