BDBM50085536 3,4,5-Trihydroxybenzoate, X::3,4,5-trihydroxybenzoic acid::CHEMBL288114::Gallic Acid, F::gallic acid

SMILES OC(=O)c1cc(O)c(O)c(O)c1

InChI Key InChIKey=LNTHITQWFMADLM-UHFFFAOYSA-N

Data  16 KI  25 IC50  1 Kd  2 EC50  1 Koff  1 Kon

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085536   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  2.25E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.58E+5nM ΔG°:  -4.25kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed