BDBM197312 SAMPL5, OA-G4

SMILES [O-]C(=O)C12CC3CC(C1)[C@H](Br)C(C3)C2

InChI Key InChIKey=DCGSZZQISZHRAV-BIOTWMQMSA-M

Data  1 Kd  2 ITC

  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 1 hit for monomerid = 197312   

Host:PNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

LigandPNGBDBM197312(SAMPL5, OA-G4)
Affinity DataKd:  1.79E+7nMpH: 11.5 T: 2°CAssay Description:The NMR experiments were carried out in 10 mM sodium phosphate buffer at a pH of 11.3, while the ITC experiments were performed in 50 mM sodium phosp...More data for this Ligand-Host Pair
Host InfoPC cidPC sid
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 197312   

HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197312(SAMPL5, OA-G4)
ITC DataΔG°: -9.36kcal/mole logk: 7.43E+6
pH: 11.5 T: 24.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM197312(SAMPL5, OA-G4)
ITC DataΔG°: -2.38kcal/mole logk: 55.8
pH: 11.3 T: 4.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed