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BDBM22149 (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1,2-oxazol-3-yl)methanesulfonamido]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid::isoxazole compound, 9c

SMILES: CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccon1)S(C)(=O)=O

InChI Key: InChIKey=UWDARGZAWVSXKW-RKQNLGICSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22149   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22149
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1,2-oxazol-...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccon1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H27FN4O7S/c1-14(2)22-19(9-8-17(30)12-18(31)13-21(32)33)23(15-4-6-16(25)7-5-15)27-24(26-22)29(37(3,34)35)20-10-11-36-28-20/h4-11,14,17-18,30-31H,12-13H2,1-3H3,(H,32,33)/b9-8+/t17-,18-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 33n/a 5.5n/an/a7.037



Bristol-Myers Squibb Company



Assay 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...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair