Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50010785'   

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))	BDBM50010785 (CHEMBL543839 | N,N'-Di-adamantan-2-yl-guanidine; h...) Show SMILES NC(NC1C2CC3CC(C2)CC1C3)=NC1C2CC3CC(C2)CC1C3 |w:13.16,TLB:12:11:9:6.5.7,16:17:14.15.20:21,THB:12:6:9:3.11.10,18:19:14:17.16.23,18:17:14:19.20.21,7:6:3:8.9.10,7:8:3:6.5.12,2:3:9:6.5.7,16:15:21:17.23.18,TEB:13:14:17.16.23:19.20.21,13:14:23:19.21.18,13:14:21:17.23.18,(15.82,-2.73,;15.82,-4.29,;17.17,-5.06,;18.51,-4.29,;18.64,-2.76,;20.16,-2.28,;21.65,-2.93,;20.81,-1.76,;19.37,-2.21,;17.78,-1.44,;19.29,-3.64,;20.03,-4.87,;21.52,-4.45,;14.48,-5.06,;13.13,-4.29,;14.16,-2.99,;14.17,-1.46,;12.74,-.87,;11.4,-1.36,;11.41,-2.85,;12.74,-3.35,;10.2,-4.15,;11.71,-3.7,;11.71,-2.12,)| Show InChI InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	203	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
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