Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50225875'   

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 (Cavia porcellus (Guinea pig))	BDBM50225875 ((+)-(1R,2S,5S)-6-benzyl-8-(4-methoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7| Show InChI InChI=1S/C22H28N2O2/c1-26-20-10-7-18(8-11-20)14-24-15-19-9-12-22(25)21(24)16-23(19)13-17-5-3-2-4-6-17/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
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