Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50010789'   

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))	BDBM50010789 (CHEMBL82078 | N,N'-Bis-(3-isopropyl-phenyl)-guanid...) Show SMILES CC(C)c1cccc(NC(N)=Nc2cccc(c2)C(C)C)c1 |w:11.11| Show InChI InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010789 (CHEMBL82078 | N,N'-Bis-(3-isopropyl-phenyl)-guanid...) Show SMILES CC(C)c1cccc(NC(N)=Nc2cccc(c2)C(C)C)c1 |w:11.11| Show InChI InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Cambridge NeuroScience, Inc. Curated by ChEMBL					Assay Description Tested in vitro for the concentration required to inhibit specific [3H]-DTG radioligand binding to sigma receptor on guinea pig brain membrane				J Med Chem 37: 260-7 (1994) BindingDB Entry DOI: 10.7270/Q2HX1BRZ
					More data for this Ligand-Target Pair