BDBM23432 octanoate::octanoate, 1::octanoic acid::octanoic acid-d15

SMILES CCCCCCCC([O-])=O

InChI Key InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M

Data  1 KI  1 Kd  5 ITC

PDB links: 44 PDB IDs match 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 2 hits for monomerid = 23432   

TargetSolute carrier family 22 member 11(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
Affinity DataKi:  2.36E+5nMAssay Description:TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Aquifex aeolicus)
University Of San Francisco

LigandPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
Affinity DataKd: >1.00E+5nMpH: 7.0 T: 2°CAssay Description:Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 23432   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.285kcal/mole ΔH°: -4.90kcal/mole logk: 2.45E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.66kcal/mole −TΔS°: 0.121kcal/mole ΔH°: -4.78kcal/mole logk: 2.61E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.54kcal/mole −TΔS°: 0.313kcal/mole ΔH°: -4.85kcal/mole logk: 2.14E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.0498kcal/mole ΔH°: -4.66kcal/mole logk: 2.44E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.271kcal/mole ΔH°: -4.89kcal/mole logk: 2.45E+3
pH: 6.9 T: 25.00°C 
In DepthDetails Article