Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50431044'   

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))	BDBM50431044 (CHEMBL2338338) Show SMILES CCCCCc1ccc2N[C@H](C(CC)CC)[C@@H]3CCCO[C@@H]3c2c1 |r| Show InChI InChI=1S/C22H35NO/c1-4-7-8-10-16-12-13-20-19(15-16)22-18(11-9-14-24-22)21(23-20)17(5-2)6-3/h12-13,15,17-18,21-23H,4-11,14H2,1-3H3/t18-,21+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis				J Med Chem 56: 3656-65 (2013) Article DOI: 10.1021/jm400181k BindingDB Entry DOI: 10.7270/Q2NK3GC7
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