BDBM50135169 (-)-Catechin gallate::(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::3,4,5-Trihydroxy-benzoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester::CHEMBL129451::US20240336588, Compound 7

SMILES: Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1

InChI Key: InChIKey=LSHVYAFMTMFKBA-UHFFFAOYSA-N

Data: 4 KI  14 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 18 hits for monomerid = 50135169   

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
Enoyl-acyl-carrier protein reductase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) 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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6-phosphogluconate dehydrogenase, decarboxylating (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Glucose-6-phosphate 1-dehydrogenase (Baker's yeast)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
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3-hydroxyacyl-[acyl-carrier-protein] dehydratase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
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Enoyl-acyl-carrier protein reductase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) 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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3-oxoacyl-acyl-carrier protein reductase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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NAD-dependent protein deacylase sirtuin-6 (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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NAD-dependent protein deacylase sirtuin-6 (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+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)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
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Pyruvate kinase PKM (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-synuclein (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Proteasome subunit beta type-5 (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Human)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) 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
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		40	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
3-oxoacyl-acyl-carrier protein reductase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.80E+3	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
3-hydroxyacyl-[acyl-carrier-protein] dehydratase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.80E+3	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
3-oxoacyl-acyl-carrier protein reductase (malaria parasite P. falciparum)	BDBM50135169 ((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		6.40E+3	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