BDBM163663 2‐[6‐(4‐Chlorophenyl)‐3‐(thiophen‐2‐yl)‐7H‐[1,2,4]triazolo[3,4‐b][1,3,4]thiadiazin‐7‐yl]acetate (22)

SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1

InChI Key InChIKey=PIDZXRXAOSMZRQ-UHFFFAOYSA-M

Data  4 KI  1 Kd

  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 5 hits for monomerid = 163663   

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

LigandPNGBDBM163663(2‐[6‐(4‐Chlorophenyl)‐3...)
Affinity DataKi:  8.00E+3nM ΔG°:  -6.88kcal/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
TargetUDP-galactopyranose mutase(Caenorhabditis elegans (Roundworm))
University of Wisconsin-Madison

LigandPNGBDBM163663(2‐[6‐(4‐Chlorophenyl)‐3...)
Affinity DataKi:  2.50E+4nM ΔG°:  -6.21kcal/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
TargetUDP-galactopyranose mutase(Mycobacterium tuberculosis H37Rv)
University of Wisconsin-Madison

LigandPNGBDBM163663(2‐[6‐(4‐Chlorophenyl)‐3...)
Affinity DataKi:  3.10E+4nM ΔG°:  -6.08kcal/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
TargetUDP-galactopyranose mutase(Corynebacterium diphtheriae)
University of Wisconsin-Madison

LigandPNGBDBM163663(2‐[6‐(4‐Chlorophenyl)‐3...)
Affinity DataKi:  7.70E+4nM ΔG°:  -5.55kcal/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

LigandPNGBDBM163663(2‐[6‐(4‐Chlorophenyl)‐3...)
Affinity DataKd:  9.00E+3nMT: 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