Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50065632'   

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))	BDBM50065632 (CHEMBL3401448) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC3CCCC(C2)C3NCCO)c1 |THB:21:22:25.26.27:30,(4.98,-7.08,;5.64,-6.04,;5.06,-4.61,;6.23,-3.66,;7.53,-4.44,;9.01,-4,;10.13,-5.08,;11,-5.96,;10.4,-3.88,;9.76,-6.57,;8.27,-7.02,;7.97,-8.21,;7.17,-5.93,;6.11,-2.12,;7.39,-1.26,;7.27,.28,;5.89,.95,;5.77,2.49,;4.67,3.02,;6.79,3.18,;4.61,.08,;3.22,.75,;1.97,-.11,;.74,-.23,;-.68,.38,;-1.99,-.31,;-2.31,-1.77,;-1.29,-1.03,;.09,-.99,;1.31,-1.6,;-.46,1.79,;-.47,3.3,;.86,4.08,;.85,5.62,;1.91,6.24,;4.73,-1.45,)| Show InChI InChI=1S/C28H39N5O3/c1-16-25-23(14-28(2,3)15-24(25)35)33(32-16)20-7-8-21(27(29)36)22(13-20)31-19-11-17-5-4-6-18(12-19)26(17)30-9-10-34/h7-8,13,17-19,26,30-31,34H,4-6,9-12,14-15H2,1-3H3,(H2,29,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
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