BDBM197311 SAMPL5, OA-G1

SMILES [O-]C(=O)CCCC#N

InChI Key InChIKey=YXBVMSQDRLXPQV-UHFFFAOYSA-M

Data  2 Kd  2 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 197311   

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

LigandPNGBDBM197311(SAMPL5, OA-G1)
Affinity DataKd:  1.44E+5nMpH: 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
In DepthDetails ArticlePubMed
Host:PNGBDBM197287(SAMPL4, OA)
University of California San Diego

LigandPNGBDBM197311(SAMPL5, OA-G1)
Affinity DataKd:  2.00E+5nMpH: 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
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 197311   

HostPNGBDBM197287(SAMPL4, OA)
University of California San Diego

GuestPNGBDBM197311(SAMPL5, OA-G1)
ITC DataΔG°: -5.04kcal/mole logk: 5.00E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University of California San Diego

GuestPNGBDBM197311(SAMPL5, OA-G1)
ITC DataΔG°: -5.23kcal/mole logk: 6.94E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed