Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50401858'   

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))	BDBM50401858 (CHEMBL2204678) Show SMILES C(CN1CCNCC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:15:22:25.24.29:27,THB:15:22:25:29.28.27,23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C30H40N2/c1-2-6-27(7-3-1)29(30-20-24-17-25(21-30)19-26(18-24)22-30)28-10-8-23(9-11-28)5-4-14-32-15-12-31-13-16-32/h1-3,6-11,24-26,29,31H,4-5,12-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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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