BDBM153300 DAUDA

SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCCCC(O)=O

InChI Key InChIKey=CEPGVMDMVJGHFQ-UHFFFAOYSA-N

Data  1 KI  1 Kd  1 ITC

PDB links: 4 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 153300   

TargetFatty acid-binding protein, intestinal(Human)
Monash University

LigandPNGBDBM153300(DAUDA)
Affinity DataKi:  300nM ΔG°:  -16.9kcal/moleT: 293.15°CAssay Description:Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetFatty acid-binding protein, intestinal(Human)
Monash University

LigandPNGBDBM153300(DAUDA)
Affinity DataKd:  360nMpH: 8.0 T: 37°CAssay Description:ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 153300   

SyringePNGBDBM153300(DAUDA)
ITC DataΔG°: -9.15kcal/mole −TΔS°: 2.38kcal/mole ΔH°: -11.5kcal/mole logk: 2.82E+6
pH: 8.0 T: 37.00°C