Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma intracellular receptor 2' and Ligand = 'BDBM50331291'   

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 intracellular receptor 2 (Homo sapiens (Human))	BDBM50331291 ((+/-)-3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-be...) Show SMILES OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12 Show InChI InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112138 BindingDB Entry DOI: 10.7270/Q2D50RKS
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Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50331291 ((+/-)-3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-be...) Show SMILES OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12 Show InChI InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma 2 receptor in rat liver membranes after 120 mins by scintillation counting analysis				Bioorg Med Chem 26: 501-508 (2018) Article DOI: 10.1016/j.bmc.2017.12.010 BindingDB Entry DOI: 10.7270/Q2MG7S3J
					More data for this Ligand-Target Pair