BDBM50327036 (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::(1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::(1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid::3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::5-O-caffeoylquinic acid::5-caffeoyl quinic acid::CHEMBL284616::Caffeoylquinic acid::Chlorogenic acid (CGA)::Chlorogenicacid::NSC-407296::US11866416, Example 10::chlorogenic acid

SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O

InChI Key: InChIKey=CWVRJTMFETXNAD-UHFFFAOYSA-N

Data: 3 KI  20 IC50  1 Kd

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 = 50327036   

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
1,3-beta-D-glucan synthase catalytic subunit (Yeast)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) 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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Histone deacetylase (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+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)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.58E+4	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)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+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 B1 (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) 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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Aldo-keto reductase family 1 member B10 (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Arginase-1 (Bovine)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Sortase family protein (Staphylococcus aureus)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Amyloid-beta precursor protein (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Biofilm regulatory protein A (Streptococcus mutans serotype c (strain ATCC 70061...)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-301] (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-301] (Human)	BDBM50327036 (Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...) Show SMILES Show InChI	GoogleScholar	UniChem		8.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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