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SMILES O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)cc2)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H]1O

InChI Key InChIKey=HZLHIOUWCDTOOF-FIZCXTQCSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50241244   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataKi:  4.60nM ΔG°:  -11.4kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2862J84PubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataKi:  134nM ΔG°:  -9.37kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2862J84PubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataKi:  5.47E+3nM ΔG°:  -7.17kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2862J84PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2862J84PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2862J84PubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 3.36E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3HTGPubMed
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C6Z93PubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Universidade de S£o Paulo

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 4.60E+4nMAssay Description:Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC40FVPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Kanazawa University

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571BRZPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Kanazawa University

Curated by ChEMBL
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571BRZPubMed
TargetTyrosinase(Homo sapiens (Human))TBA
LigandPNGBDBM50241244((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 7.85E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N58RF6PubMed