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SMILES CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1

InChI Key InChIKey=YYIVMSWPFALBOP-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 22110   

Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Escherichia coli (strain K12))
Industrial Research Limited

LigandPNGBDBM22110(Azetidine based compound, 43 | [1-({4-amino-5H-pyr...)copy SMILEScopy InChI
Affinity DataKi:  0.840nM ΔG°:  -12.2kcal/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QC01T3PubMed
TargetS-methyl-5'-thioadenosine phosphorylase(Homo sapiens (Human))
Industrial Research Limited

LigandPNGBDBM22110(Azetidine based compound, 43 | [1-({4-amino-5H-pyr...)copy SMILEScopy InChI
Affinity DataKi:  140nM ΔG°:  -9.25kcal/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QC01T3PubMed
TargetAdenosylhomocysteine nucleosidase(Streptococcus pneumoniae)
Industrial Research Limited

LigandPNGBDBM22110(Azetidine based compound, 43 | [1-({4-amino-5H-pyr...)copy SMILEScopy InChI
Affinity DataKi:  150nM ΔG°:  -9.21kcal/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QC01T3PubMed