BDBM163657 2‐[3‐(Furan‐2‐yl)‐6‐phenyl‐7H‐[1,2,4]triazolo[3,4‐b][1,3,4]thiadiazin‐7‐yl]acetate (6)

SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1

InChI Key InChIKey=LNBNRQUVZZGNPK-UHFFFAOYSA-M

Data  1 KI  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 163657   

TargetProbable UDP-galactopyranose mutase(Klebsiella pneumoniae (Enterobacteria))
University of Wisconsin-Madison

LigandPNGBDBM163657(2‐[3‐(Furan‐2‐yl)‐6&...)
Affinity DataKi:  7.80E+4nM ΔG°:  -5.54kcal/moleT: 2°CAssay Description:Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProbable UDP-galactopyranose mutase(Klebsiella pneumoniae (Enterobacteria))
University of Wisconsin-Madison

LigandPNGBDBM163657(2‐[3‐(Furan‐2‐yl)‐6&...)
Affinity DataKd:  4.30E+4nMAssay Description:Polarization for the fluorescein-UDP conjugated probe in the presence of inhibitors was measured on a Tecan M1000 microplate reader, exciting with 47...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProbable UDP-galactopyranose mutase(Klebsiella pneumoniae (Enterobacteria))
University of Wisconsin-Madison

LigandPNGBDBM163657(2‐[3‐(Furan‐2‐yl)‐6&...)
Affinity DataKd:  4.10E+4nMT: 2°CAssay Description:Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed