BDBM50049400 (+/-) taxifolin::(+/-)-Dihydroquercetin::(+/-)-taxifolin::(2R,3R)-2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one::(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one::2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one::3,5,7,3',4'-pentahydroxyflavanone::CHEMBL337309::NSC-2801

SMILES OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1

InChI Key InChIKey=BYVWXQRJRYELNP-UHFFFAOYSA-N

Data  7 KI  11 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50049400   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049400((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
Affinity DataKi:  33nM 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 7(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049400((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
Affinity DataKi:  493nM ΔG°:  -8.60kcal/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 4(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049400((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
Affinity DataKi:  9.10E+3nM ΔG°:  -6.87kcal/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 2(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049400((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049400((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
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
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049400((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
Affinity DataKi:  3.39E+4nMAssay Description:Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049400((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
Affinity DataKi:  3.41E+4nMAssay Description:Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed