BDBM4375 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid::(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9)::3,4-Dihydroxycinnamate, XVII::CHEMBL145::Caffeic acid::Caffeic acid, 1::US20240415800, Compound 2-9 (Caffeic Acid)::cid_689043

SMILES: c1cc(c(cc1\C=C\C(=O)O)O)O

InChI Key: InChIKey=QAIPRVGONGVQAS-UHFFFAOYSA-N

Data: 21 KI  59 IC50  2 EC50

PDB links: 14 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 81 hits for monomerid = 4375   

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
Polyphenol oxidase 4 (Agaricus bisporus)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 7 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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Dual specificity protein phosphatase 3 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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Polyphenol oxidase 2 (White button mushroom)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
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BiP isoform A (Soybean)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Hyaluronidase-1 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Epidermal growth factor receptor (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member B10 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Seed linoleate 13S-lipoxygenase-1 (Soybean)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Sortase family protein (Staphylococcus aureus)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Type-1 angiotensin II receptor (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
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Arginase-1 (Bovine)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Catechol O-methyltransferase (Rat)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Lipoxygenase (Potato)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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Aldo-keto reductase family 1 member B1 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Seed linoleate 13S-lipoxygenase-1 (Soybean)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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Lipoxygenase (Potato)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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Prostaglandin G/H synthase 1 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Prostaglandin G/H synthase 2 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Pancreatic triacylglycerol lipase (Pig)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Matrix metalloproteinase-9 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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72 kDa type IV collagenase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Interstitial collagenase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	239	n/a	n/a	n/a	n/a	n/a	n/a
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Matrix metalloproteinase-9 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Sucrase-isomaltase, intestinal (Rat)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Lysosomal alpha-glucosidase (Rat)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Transthyretin (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Rat)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Seed linoleate 13S-lipoxygenase-1 (Soybean)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	25
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Acetylcholinesterase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.55E+6	n/a	n/a	n/a	n/a	8.0	n/a
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Linoleate 9S-lipoxygenase-4 (Soybean)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	25
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Catechol O-methyltransferase (Rat)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
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Large T antigen (SV40)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Gag-Pol polyprotein (HIV-1)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	8.0	23
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Glutamate carboxypeptidase 2 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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Glutamate carboxypeptidase 2 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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Amyloid-beta precursor protein (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.16E+5	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Dipeptidyl peptidase 4 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydroorotate dehydrogenase (fumarate) (Leishmania major)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.75E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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Anthrax toxin receptor 2 (Human)	BDBM4375 (3,4-Dihydroxycinnamate, XVII | cid_689043 | Caffei...) 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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