Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50044427'   

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)	BDBM50044427 (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexade...) Show SMILES C[C@]12N[C@H](Cc3ccc(cc13)N=C=S)c1ccccc21 Show InChI InChI=1S/C17H14N2S/c1-17-14-5-3-2-4-13(14)16(19-17)8-11-6-7-12(18-10-20)9-15(11)17/h2-7,9,16,19H,8H2,1H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Tested for invitro inhibition of the displacement of (+)-[3H]-pentazocine from sigma opioid receptor				J Med Chem 36: 2499-507 (1993) BindingDB Entry DOI: 10.7270/Q2V69HNK
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