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BDBM18394 (3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3-methylphenyl)methyl]carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]oxy}-3,5-dihydroxyhexanoic acid::oxypyrazole, 4g

SMILES: CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(C)c1)-c1ccc(F)cc1

InChI Key: InChIKey=KJCQIVZEEFILIS-YADHBBJMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18394   
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))
BDBM18394
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3-methylphenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(C)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-16(2)24-25(26(36)29-14-18-6-4-5-17(3)11-18)30-31(20-9-7-19(28)8-10-20)27(24)37-15-22(33)12-21(32)13-23(34)35/h4-11,16,21-22,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t21-,22+/m1/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 4.90n/an/an/an/a7.237



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