Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50532489'   

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 (RAT)	BDBM50532489 (CHEMBL4434692) Show SMILES Cl.CN(CCOc1cc(COc2cccc(Cl)c2)on1)CC1CC1 Show InChI InChI=1S/C17H21ClN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532489 (CHEMBL4434692) Show SMILES Cl.CN(CCOc1cc(COc2cccc(Cl)c2)on1)CC1CC1 Show InChI InChI=1S/C17H21ClN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair