BDBM50325671 (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE::(S)-2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chroman-4-one::(S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one::(S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one::5,7,3',4'-tetrahydroxyflavanone::5,7,3',4'-tetrahydroxyflavon::CHEMBL8996::ERIODICTYOL::eriodicryol::eryodictiol::hsp90_170

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

InChI Key InChIKey=SBHXYTNGIZCORC-ZDUSSCGKSA-N

Data  5 KI  12 IC50

PDB links: 3 PDB IDs match this monomer.

  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 17 hits for monomerid = 50325671   

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

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataKi:  4.30nM 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 ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataKi:  31nM ΔG°:  -10.2kcal/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 ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataKi:  73nM ΔG°:  -9.73kcal/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 ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
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 ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
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 ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  1.66E+6nMAssay Description:Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxylic ester hydrolase(Equus caballus (Horse))
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  1.12E+6nMAssay Description:Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInositol hexakisphosphate kinase 2(Homo sapiens)
National Institute Of Environmental Health Sciences

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  2.53E+4nMAssay Description:Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInositol polyphosphate multikinase(Homo sapiens)
National Institute Of Environmental Health Sciences

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-5(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  1.46E+4nMAssay Description:Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-5(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  1.62E+4nMAssay Description:Inhibition of chymotrypsin-like activity of purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis usin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Dongguk University-Seoul

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase SETD7(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and bio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  5.32E+4nMAssay Description:Inhibition of human CYP1A2 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of human CYP1A1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  200nMAssay Description:FRET Assay 1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50325671((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Affinity DataIC50:  1.28E+3nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed