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)N1[C@@H]([C@@H](CC[C@H](O)c2ccc(F)cc2)C1=O)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1

InChI Key InChIKey=DWURZHBEXYXPMW-WHTAKPIKSA-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(Homo sapiens (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 DepthDetails ArticlePubMed
TargetNPC1-like intracellular cholesterol transporter 1(Rattus norvegicus)
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
TargetNPC1-like intracellular cholesterol transporter 1(Mus musculus)
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
TargetNPC1-like intracellular cholesterol transporter 1(Rattus norvegicus)
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
TargetNPC1-like intracellular cholesterol transporter 1(Homo sapiens (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 DepthDetails ArticlePubMed