Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50129594'   

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))	BDBM50129594 (4-fluoro-N-(4-fluorophenyl)-N-(3-(4-(3-phenylpropy...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H33F2N3/c29-25-9-13-27(14-10-25)33(28-15-11-26(30)12-16-28)19-5-18-32-22-20-31(21-23-32)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16H,4-5,8,17-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
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