BDBM60989 (3S)-2-[(2S,3S)-2-(hydroxymethyl)-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one::(3S)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxy-phenyl)-2-methylol-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one::(3S)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one::(3S)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one::MLS001332411::SMR000857154::Silibinin::cid_16211710

SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)C1Oc2cc(O)cc(O)c2C(O)C1=O

InChI Key InChIKey=DAEUJFZPBBHELE-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 3 hits for monomerid = 60989   

TargetCytochrome P450 2C9(Human)
University of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM60989(SMR000857154 | (3S)-3,5,7-trihydroxy-2-[(2S,3S)-3-...)
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibition of CYP2C9 in pooled human liver microsomes assessed as reduction in enzyme-mediated (S)-warfarin 7-hydroxylation by HPLC/MS-MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetXanthine dehydrogenase/oxidase(Rat)
Pharmacy School of Wenzhou Medical College

Curated by ChEMBL
LigandPNGBDBM60989(SMR000857154 | (3S)-3,5,7-trihydroxy-2-[(2S,3S)-3-...)
Affinity DataIC50: 8.03E+4nMAssay Description:Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 15(Mouse)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM60989(SMR000857154 | (3S)-3,5,7-trihydroxy-2-[(2S,3S)-3-...)
Affinity DataKi:  650nMAssay Description:Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/1/2013
Entry Details Article
PubMed