BDBM4078 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione::CHEMBL6246::ELLAGIC ACID::Elagic Acid::Ellagic acid (18)::Ellagic acid dihydrate::MLS000069632::SMR000058244::cid_5281855

SMILES: c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

InChI Key: InChIKey=AFSDNFLWKVMVRB-UHFFFAOYSA-N

Data: 24 KI  88 IC50  1 Kd  5 EC50  1 K_off  1 K_on

PDB links: 3 PDB IDs match 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 120 hits for monomerid = 4078   

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
Proto-oncogene tyrosine-protein kinase Src (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	7.4	30
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cAMP-dependent protein kinase catalytic subunit alpha (Bovine)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	30
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Heat shock 70 kDa protein 1A (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	760	n/a	n/a	n/a	n/a	7.0	23
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Mothers against decapentaplegic homolog 3 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
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Heat shock 70 kDa protein 1A (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) 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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Acetyl-CoA acetyltransferase/HMG-CoA reductase (Enterococcus faecalis)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.27E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Eukaryotic translation initiation factor 4 gamma 1 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein phosphatase 3 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein phosphatase 6 (Rat)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Heat shock cognate 71 kDa protein (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
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2'-phosphotransferase (Yeast)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	541	n/a	n/a	n/a	n/a	n/a	n/a
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Guanyl-specific ribonuclease T1 (Yellow koji mold)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
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M17 leucyl aminopeptidase (Plasmodium falciparum (isolate 3D7))	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein phosphatase 3 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
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DNA primase (Bacillus anthracis)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.8	n/a
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Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a	6.0	n/a
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Acetylcholinesterase (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.0	25
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Glutathione S-transferase P (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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ELAV-like protein 3 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
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Macrophage migration inhibitory factor (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<4.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member B1 (Rat)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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Polypeptide N-acetylgalactosaminyltransferase 2 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a
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Polypeptide N-acetylgalactosaminyltransferase 2 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	n/a	2.37E+3	n/a	n/a
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Polypeptide N-acetylgalactosaminyltransferase 2 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	0.000879	n/a	n/a	n/a
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Polypeptide N-acetylgalactosaminyltransferase 2 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Polypeptide N-acetylgalactosaminyltransferase 2 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electric eel)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] A (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) 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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Cysteine protease ATG4B (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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5'-nucleotidase (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
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5'-nucleotidase (Mouse)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleoside triphosphate diphosphohydrolase 1 (Mouse)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
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Inhibitor of nuclear factor kappa-B kinase subunit beta (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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ALK tyrosine kinase receptor/Nucleophosmin (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase Lyn (Rat)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Proto-oncogene tyrosine-protein kinase receptor Ret (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-type tyrosine-protein kinase FLT3 (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase SYK (Rat)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase Fgr (Rat)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase CSK (Rat)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Glycogen synthase kinase-3 beta (Human)	BDBM4078 (Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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