Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50382166'   

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))	BDBM50382166 (CHEMBL2023825) Show SMILES C1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:18:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,18:25:28:32.31.30| Show InChI InChI=1S/C33H44N2/c1-3-7-28(8-4-1)32(33-22-25-19-26(23-33)21-27(20-25)24-33)29-11-13-31(14-12-29)35-17-15-34(16-18-35)30-9-5-2-6-10-30/h1,3-4,7-8,11-14,25-27,30,32H,2,5-6,9-10,15-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from sigma-1 receptor expressed in human Jurkat cell membranes after 2 hrs by liquid scintillation spectroscopy				Bioorg Med Chem 20: 3323-31 (2012) Article DOI: 10.1016/j.bmc.2012.03.038 BindingDB Entry DOI: 10.7270/Q20V8DT0
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