Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50401862'   

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))	BDBM50401862 (CHEMBL2204668) Show SMILES CN1CCN(Cc2ccc(cc2)C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:12:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,12:19:22:26.25.24| Show InChI InChI=1S/C29H38N2/c1-30-11-13-31(14-12-30)21-22-7-9-27(10-8-22)28(26-5-3-2-4-6-26)29-18-23-15-24(19-29)17-25(16-23)20-29/h2-10,23-25,28H,11-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	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 in human Jurkat cell membrane				J Med Chem 55: 10241-61 (2012) Article DOI: 10.1021/jm3013008 BindingDB Entry DOI: 10.7270/Q2736S3Z
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