BDBM50442881 SILYBIN A

SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O

InChI Key InChIKey=DAEUJFZPBBHELE-UHFFFAOYSA-N

Data  6 KI  11 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50442881   

TargetProthrombin(Human)
University of Lodz

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKd:  1.90nMAssay Description:Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2014
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKi:  700nMAssay Description:Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKi:  700nMAssay Description:Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKi:  3.27E+3nMAssay Description:Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKi:  3.37E+3nMAssay Description:Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 4.27E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 2B1(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of OATP2B1 (unknown origin) expressed in MDCK2 cells assessed as reduction of [3H]estrone-3-sulfate uptake after 3 mins by beta-countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 6.17E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKi:  8.40E+3nMAssay Description:Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKi:  8.50E+3nMAssay Description:Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 1.21E+4nMAssay Description:Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Tasly Pharmaceutical Group

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate at after 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2018
Entry Details Article
PubMed
TargetProthrombin(Human)
University of Lodz

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 2.09E+4nMAssay Description:Inhibition of thrombin (unknown origin) assessed as hydrolysis of N-benzoyl-phenylalanylvalyl-arginine-paranitroanilideMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2014
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(Human)
University of Lodz

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of urokinase amidolytic activity (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2014
Entry Details Article
PubMed
TargetProthrombin(Human)
University of Lodz

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human thrombin amidolytic activity using D-Phe-Pip-Arg-pNA as substrate preincubated for 10 mins followed by substrate addition measure...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2014
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
University of New South Wales

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50442881BDBM50442881(SILYBIN A)
Affinity DataKd:  5.00E+5nMAssay Description:Binding affinity to HSP90 C-terminal domain (unknown origin) by biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed