Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50129591'   

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))	BDBM50129591 (9-[3-(3,4,5-Trimethyl-piperazin-1-yl)-propyl]-9H-c...) Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1C Show InChI InChI=1S/C22H29N3/c1-17-15-24(16-18(2)23(17)3)13-8-14-25-21-11-6-4-9-19(21)20-10-5-7-12-22(20)25/h4-7,9-12,17-18H,8,13-16H2,1-3H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	552	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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