BDBM36181 SODIUM BENZOATE::benzoate::benzoic acid::benzoic acid-d5

SMILES [O-]C(=O)c1ccccc1

InChI Key InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M

Data  13 KI  5 IC50  3 Kd  1 EC50  5 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 3 hits for monomerid = 36181   

TargetD-amino-acid oxidase(Homo sapiens (Human))
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Affinity DataKd:  9.00E+3nMAssay Description:Binding affinity to human recombinant DAAO at 442 nm spectral modification by spectrophotometric analysis in presence of FADMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD-amino-acid oxidase(Homo sapiens (Human))
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Affinity DataKd:  2.30E+3nMAssay Description:Binding affinity to human recombinant DAAO by stopped flow spectrophotometric analysis in presence of FADMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD-amino-acid oxidase(Homo sapiens (Human))
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Affinity DataKd:  2.20E+3nMAssay Description:Binding affinity to human recombinant DAAO at 492 nm spectral modification by spectrophotometric analysis in presence of FADMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 36181   

HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
ITC DataΔG°: -2.51kcal/mole −TΔS°: -0.669kcal/mole ΔH°: -1.83kcal/mole logk: 69
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
ITC DataΔG°: -2.58kcal/mole −TΔS°: -0.762kcal/mole ΔH°: -1.83kcal/mole logk: 78
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
ITC DataΔG°: -2.46kcal/mole −TΔS°: -0.577kcal/mole ΔH°: -1.89kcal/mole logk: 64
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science and Technology Agency

GuestPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
ITC DataΔG°: -2.55kcal/mole −TΔS°: -0.741kcal/mole ΔH°: -1.82kcal/mole logk: 74
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
ITC DataΔG°: -1.64kcal/mole −TΔS°: 0.869kcal/mole ΔH°: -2.51kcal/mole logk: 15.9
pH: 6.9 T: 25.00°C 
In DepthDetails Article