BDBM50240376 3,4,5-Trihydroxy-benzoic acid octyl ester::CHEMBL277346::US11565996, Compound Octyl Gallate::n-octylgallate::octyl gallate

SMILES: CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O

InChI Key: InChIKey=NRPKURNSADTHLJ-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50240376   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ubiquinol oxidase 1, mitochondrial (Voodoo lily)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ubiquinol oxidase 1, mitochondrial (Voodoo lily)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Human)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rat)	BDBM50240376 (n-octylgallate | 3,4,5-Trihydroxy-benzoic acid oct...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair