Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50344427'   

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))	BDBM50344427 (CHEMBL1780002 | cis-N-Benzyl-3-methoxy-N-pentyl-3,...) Show SMILES CCCCCN(Cc1ccccc1)[C@H]1CC[C@]2(CC1)OC(Cc1ccccc21)OC |r,wU:13.13,16.20,(32.61,-18.88,;32.61,-20.42,;31.28,-21.19,;31.28,-22.74,;32.62,-23.5,;33.95,-22.73,;33.95,-21.19,;35.29,-20.42,;36.61,-21.19,;37.95,-20.42,;37.95,-18.88,;36.6,-18.11,;35.27,-18.88,;35.29,-23.5,;36.05,-22.15,;37.69,-22.77,;38.95,-22.36,;38.19,-23.7,;36.48,-23.08,;38.95,-20.82,;40.29,-20.05,;41.62,-20.83,;41.61,-22.36,;42.93,-23.12,;42.93,-24.64,;41.6,-25.41,;40.28,-24.64,;40.28,-23.12,;40.29,-18.51,;41.63,-17.75,)| Show InChI InChI=1S/C27H37NO2/c1-3-4-10-19-28(21-22-11-6-5-7-12-22)24-15-17-27(18-16-24)25-14-9-8-13-23(25)20-26(29-2)30-27/h5-9,11-14,24,26H,3-4,10,15-21H2,1-2H3/t24-,26?,27+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer				Bioorg Med Chem 19: 3141-51 (2011) Article DOI: 10.1016/j.bmc.2011.04.002 BindingDB Entry DOI: 10.7270/Q2D21XXP
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