Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50251207'   

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))	BDBM50251207 (CHEMBL4079633) Show SMILES COC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3/t19-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
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