null

SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O

InChI Key InChIKey=BPRHUIZQVSMCRT-VEUZHWNKSA-N

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 18372   

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional Autónoma de México

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)copy SMILEScopy InChI
Affinity DataKi:  0.900nMAssay Description:Inhibitory constant against HMG-CoA reductaseMore data for this Ligand-Target Pair
TargetBile salt export pump(Rattus norvegicus)
University of Tokyo

Curated by PDSP Ki Database
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23X8573PubMed
TargetBile salt export pump(Homo sapiens (Human))
University of Tokyo

Curated by PDSP Ki Database
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23X8573PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional Autónoma de México

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)copy SMILEScopy InChI
Affinity DataKi:  7.10E+4nMAssay Description:Inhibitory constant against HMG-CoA reductase with alpha asaroneMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18372   

SyringePNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
ITC DataΔG°: -10.8kcal/mole −TΔS°: 2.40kcal/mole ΔH°: -13.2kcal/mole logk: 5.88E+7
pH: 7.2 T: 30.00°C