Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50111628'   

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))	BDBM50111628 (6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...) Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50111628 (6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...) Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity towards Sigma opioid receptor type 1 by using [3H]- (+)-pentazocine as radioligand				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair