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BDBM20703 Tertiary Amide Analog, 45::sodium (3R,5R)-7-[1-(4-fluorophenyl)-3-{[(2-fluorophenyl)methyl](methyl)carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoate

SMILES: CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1

InChI Key: InChIKey=CWNFWNFUXTYABU-FGZHOGPDSA-M

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20703   
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))
BDBM20703
PNG
(Tertiary Amide Analog, 45 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H33F2N3O5/c1-17(2)26-24(13-12-21(34)14-22(35)15-25(36)37)33(20-10-8-19(29)9-11-20)31-27(26)28(38)32(3)16-18-6-4-5-7-23(18)30/h4-11,17,21-22,34-35H,12-16H2,1-3H3,(H,36,37)/p-1/t21-,22-/m1/s1
PDB
MMDB

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KEGG
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.80n/a 0.5n/an/a7.237



Pfizer



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: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair