Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50382169'   

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))	BDBM50382169 (CHEMBL2023824) Show SMILES CCN1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:14:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,14:21:24:28.27.26| Show InChI InChI=1S/C29H38N2/c1-2-30-12-14-31(15-13-30)27-10-8-26(9-11-27)28(25-6-4-3-5-7-25)29-19-22-16-23(20-29)18-24(17-22)21-29/h3-11,22-24,28H,2,12-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	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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