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   

TargetCytochrome P450 2C9(Human)
Tasly Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50442881(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
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
University of New South Wales

Curated by ChEMBL
LigandPNGBDBM50442881(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
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50442881(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
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50442881(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
LigandPNGBDBM50442881(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
TargetSolute carrier organic anion transporter family member 2B1(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50442881(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
TargetSolute carrier organic anion transporter family member 1B3(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50442881(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
LigandPNGBDBM50442881(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
TargetProthrombin(Human)
University of Lodz

Curated by ChEMBL
LigandPNGBDBM50442881(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
TargetProthrombin(Human)
University of Lodz

Curated by ChEMBL
LigandPNGBDBM50442881(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
TargetProthrombin(Human)
University of Lodz

Curated by ChEMBL
LigandPNGBDBM50442881(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
LigandPNGBDBM50442881(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
TargetSolute carrier organic anion transporter family member 1B3(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50442881(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
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50442881(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
LigandPNGBDBM50442881(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
TargetSolute carrier organic anion transporter family member 1B3(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50442881(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
LigandPNGBDBM50442881(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
TargetPolyphenol oxidase 2(White button mushroom)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50442881(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
LigandPNGBDBM50442881(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