BDBM18372 (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid::CHEMBL1496::Ros::Rosuvastatin::US9102656, Rosuvastatin ::ZD4522

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

Data  4 KI  10 IC50  1 Kd  2 EC50  1 ITC

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 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...)
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...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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...)
Affinity DataKi:  7.10E+4nMAssay Description:Inhibitory constant against HMG-CoA reductase with alpha asaroneMore data for this Ligand-Target Pair
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...)
Affinity DataIC50:  4nMAssay Description:The following procedure was followed using a HMG-CoA Reductase assay kit obtained from Sigma-Aldrich (catalogue number CS1090). The assay is based on...More data for this Ligand-Target Pair
TargetRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta(Homo sapiens (Human))
Max Planck Institute Of Molecular Physiology

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Affinity DataKd:  1.25E+3nMAssay Description:Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Pfizer

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of rat microsomal HMGCoA reductaseMore data for this Ligand-Target Pair
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...)
Affinity DataIC50:  5.40nMAssay Description:Inhibitory concentration against HMG-CoA reductaseMore data for this Ligand-Target Pair
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...)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of HMG-CoA reductaseMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Pfizer

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Pfizer

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Affinity DataIC50:  3.10nM EC50:  0.600nMpH: 7.0 T: 2°CAssay Description:Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Pfizer

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Affinity DataIC50:  2.10nMAssay Description:Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...More data for this Ligand-Target Pair
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...)
Affinity DataIC50:  5nMAssay Description:Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductaseMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Pfizer

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Affinity DataIC50:  3.10nM EC50:  0.300nMpH: 7.2 T: 2°CAssay Description:Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Pfizer

Curated by ChEMBL
LigandPNGBDBM18372((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Affinity DataIC50:  3.60nMpH: 7.2 T: 2°CAssay Description:Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18372   

Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

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