Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50514259'   

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))	BDBM50514259 (CHEMBL4534193) Show SMILES CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-8-3-2-4-9-21)17-23(28-18)11-14-25(15-12-23)13-10-19-6-5-7-20(24)16-19/h2-9,16,18H,10-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
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