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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18372   

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:  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

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