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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 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 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  3.20E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  4.08E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Dicentrarchus labrax)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  4.13E+3nMAssay Description:Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  6.07E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  6.13E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  6.99E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.03E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.49E+3nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.78E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  9.86E+3nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  9.97E+3nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProlyl 4-hydroxylase subunit alpha-1(Gallus gallus (Chicken))
University of Oulu

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  3.00E+4nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.More data for this Ligand-Target Pair
In DepthDetails PubMed
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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  1.05E+6nM ΔG°:  -4.06kcal/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