BDBM50258479 (2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(3-(methylsulfonamido)prop-1-ynyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid::CHEMBL504066

SMILES CS(=O)(=O)NCC#CN1[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=NXKQCLGJGYHISK-LGVKIFKBSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50258479   

TargetNPC1-like intracellular cholesterol transporter 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258479((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorop...)
Affinity DataIC50:  7nMAssay 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(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258479((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorop...)
Affinity DataIC50:  20nMAssay 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
TargetNiemann-Pick C1-like 1 protein(Macaca mulatta)
Merck

Curated by ChEMBL
LigandPNGBDBM50258479((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorop...)
Affinity DataIC50:  20nMAssay 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
TargetNiemann-Pick C1-like 1 protein(Canis familiaris)
Merck

Curated by ChEMBL
LigandPNGBDBM50258479((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorop...)
Affinity DataIC50:  8nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50258479((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorop...)
Affinity DataIC50:  16nMAssay 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