BDBM92262 CS252

SMILES NC[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO

InChI Key InChIKey=RMTUQHBOIGEBSC-UHFFFAOYSA-N

Data  1 KI  2 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 92262   

TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Aquifex aeolicus (strain VF5))
Csar

LigandPNGBDBM92262(CS252)
Affinity DataKd:  59nMpH: 7.0 T: 2°CAssay Description:ThermofluorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2012
Entry Details PubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
D3R/Abbott

LigandPNGBDBM92262(CS252)
Affinity DataKd:  58.6nMAssay Description:Thermofluor_Method1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Aquifex aeolicus (strain VF5))
Csar

LigandPNGBDBM92262(CS252)
Affinity DataKi:  10nM ΔG°:  -10.9kcal/molepH: 7.0 T: 2°CAssay Description:OctetRedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2012
Entry Details PubMed