BDBM50240720 (2S,3S,4S,5R,6S)-6-(4-((2S,3R)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-carboxylic acid::(2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)-3-[(S)-3-(4-fluoro-phenyl)-3-hydroxy-propyl]-4-oxo-azetidin-2-yl}-phenoxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid::(2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)-3-[3-((S)-4-fluoro-phenyl)-3-hydroxy-propyl]-4-oxo-azetidin-2-yl}-phenoxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid::CHEMBL321017::ezetimibe-glucuronide

SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1)c1ccc(F)cc1

InChI Key InChIKey=UOFYCFMTERCNEW-UHFFFAOYSA-N

Data  1 KI  5 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 6 hits for monomerid = 50240720   

LigandPNGBDBM50240720((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)...)
Affinity DataIC50: 300nMAssay Description:Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
LigandPNGBDBM50240720((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)...)
Affinity DataIC50: 300nMAssay Description:Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
LigandPNGBDBM50240720((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)...)
Affinity DataIC50: 580nMAssay Description:Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNiemann-Pick C1-like 1 protein(Dog)
Merck

Curated by ChEMBL
LigandPNGBDBM50240720((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)...)
Affinity DataIC50: 60nMAssay Description:Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNiemann-Pick C1-like 1 protein(Rhesus macaque)
Merck

Curated by ChEMBL
LigandPNGBDBM50240720((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)...)
Affinity DataIC50: 30nMAssay Description:Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
LigandPNGBDBM50240720((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-1-(4-Fluoro-phenyl)...)
Affinity DataKi:  180nMAssay Description:Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2012
Entry Details Article
PubMed