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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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50085536   

TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKd:  924nMAssay Description:Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKoff:  1.45E+3s-1Assay Description:Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as association rate by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKon:  0.00134M-1s-1Assay Description:Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation rate by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  1.37E+3nMAssay Description:Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed