BDBM50300992 (2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-3-[(S)-3-(4-Fluoro-phenyl)-3-hydroxy-propyl]-1-[4-(3-methane[35S]sulfonylamino-prop-1-ynyl)-phenyl]-4-oxo-azetidin-2-yl}-phenoxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid::CHEMBL578400

SMILES CS(=O)(=O)NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

InChI Key InChIKey=DWURZHBEXYXPMW-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50300992   

TargetNPC1-like intracellular cholesterol transporter 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50300992((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-3-[(S)-3-(4-Fluoro-...)
Affinity DataIC50: 4nMAssay 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:
12/26/2012
Entry Details Article
PubMed
TargetNPC1-like intracellular cholesterol transporter 1(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50300992((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-3-[(S)-3-(4-Fluoro-...)
Affinity DataIC50: 4nMAssay 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:
12/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNPC1-like intracellular cholesterol transporter 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50300992((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-3-[(S)-3-(4-Fluoro-...)
Affinity DataIC50: 4nMAssay 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:
12/26/2012
Entry Details Article
PubMed
TargetNPC1-like intracellular cholesterol transporter 1(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50300992((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-3-[(S)-3-(4-Fluoro-...)
Affinity DataIC50: 4nMAssay 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:
12/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNPC1-like intracellular cholesterol transporter 1(Mouse)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50300992((2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-3-[(S)-3-(4-Fluoro-...)
Affinity DataIC50: 44nMAssay 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:
12/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)