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BDBM18421 (3R,5S)-6-{[1-(4-fluorophenyl)-3-(piperidin-1-ylcarbonyl)-4-(propan-2-yl)-1H-pyrazol-5-yl]oxy}-3,5-dihydroxyhexanoic acid::oxypyrazole, 4hh

SMILES: CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCCCC1)-c1ccc(F)cc1

InChI Key: InChIKey=AMPPAPYNHBKNHM-MOPGFXCFSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18421   
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))
BDBM18421
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-(piperidin-1-ylca...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCCCC1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H32FN3O6/c1-15(2)21-22(23(33)27-10-4-3-5-11-27)26-28(17-8-6-16(25)7-9-17)24(21)34-14-19(30)12-18(29)13-20(31)32/h6-9,15,18-19,29-30H,3-5,10-14H2,1-2H3,(H,31,32)/t18-,19+/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Pfizer



Assay 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...


Bioorg Med Chem Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair