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(Pseudomonas aeruginosa (g-Proteobacteria))
University of Wisconsin-Madison

LigandPNGBDBM163663(2‐[6‐(4‐Chlorophenyl)‐3...)
Affinity DataKd:  9.00E+3nMT: 2°CAssay Description:Reactions were performed in duplicate at 22 C 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 Depth
Date in BDB:
2/16/2016
Entry Details Article
PubMed
TargetProbable UDP-galactopyranose mutase(Pseudomonas aeruginosa (g-Proteobacteria))
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 22 C 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 Depth
Date in BDB:
2/16/2016
Entry Details Article
PubMed
TargetUDP-galactopyranose mutase(Caenorhabditis elegans)
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 22 C 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 Depth
Date in BDB:
2/16/2016
Entry Details Article
PubMed
TargetUDP-galactopyranose mutase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
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 22 C 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 Depth
Date in BDB:
2/16/2016
Entry Details Article
PubMed
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 22 C 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 Depth
Date in BDB:
2/16/2016
Entry Details Article
PubMed