Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50351993'   

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 (Cavia porcellus (Guinea pig))	BDBM50351993 (CHEMBL1822600) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCOc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C39H56N4O4S/c1-41(2)37-19-7-18-36-34(37)16-9-21-39(36)48(44,45)40-22-28-46-29-30-47-38-20-8-15-33-31(11-6-17-35(33)38)12-10-23-42-24-26-43(27-25-42)32-13-4-3-5-14-32/h7-9,15-16,18-21,31-32,40H,3-6,10-14,17,22-30H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain membrane				J Med Chem 54: 5858-67 (2011) Article DOI: 10.1021/jm200591t BindingDB Entry DOI: 10.7270/Q2KK9C5Z
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