BDBM50241052 1,2,3,4,6-Pgg::1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose::1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose::CHEMBL382408::acs.jmedchem.1c00409_ST.650::beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)

SMILES: Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=QJYNZEYHSMRWBK-UHFFFAOYSA-N

Data: 4 KI  19 IC50

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 25 hits for monomerid = 50241052   

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
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-amylase 1A (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Squalene monooxygenase (Rat)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
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Genome polyprotein (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 2 (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Xanthine dehydrogenase/oxidase (Bovine)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Prothrombin (Bovine)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
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Prothrombin (Bovine)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
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Polyphenol oxidase 4 (Agaricus bisporus)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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Polyphenol oxidase 4 (Agaricus bisporus)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleoside triphosphate diphosphohydrolase 1 (Mouse)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
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5'-nucleotidase (Mouse)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) 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
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5'-nucleotidase (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Anthrax toxin receptor 2 (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	607	n/a	n/a	n/a	n/a	n/a	n/a
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Anthrax toxin receptor 2 (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (2019-nCoV)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-amylase 1A (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Prothrombin (Bovine)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50241052 (1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-bet...) Show SMILES Show InChI	GoogleScholar	UniChem		5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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