Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50016288'   

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))	BDBM50016288 (CHEMBL3262785) Show SMILES COc1cccc(Cn2cc(nn2)-c2ccc(cc2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1 Show InChI InChI=1S/C32H37N5O4/c1-39-28-8-6-7-23(17-28)20-37-22-29(34-35-37)24-9-11-25(12-10-24)32(38)33-14-4-5-15-36-16-13-26-18-30(40-2)31(41-3)19-27(26)21-36/h6-12,17-19,22H,4-5,13-16,20-21H2,1-3H3,(H,33,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...				J Med Chem 57: 4239-51 (2014) Article DOI: 10.1021/jm5001453 BindingDB Entry DOI: 10.7270/Q20P11KX
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