Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50290092'   

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))	BDBM50290092 ((S)-3-(2-Cycloheptyl-ethyl)-1,8,8-trimethyl-3-aza-...) Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C19H35N/c1-18(2)17-10-12-19(18,3)15-20(14-17)13-11-16-8-6-4-5-7-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1				Bioorg Med Chem Lett 7: 2303-2306 (1997) Article DOI: 10.1016/S0960-894X(97)00417-4 BindingDB Entry DOI: 10.7270/Q2319VVV
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