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BDBM18420 (3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3R)-3-phenylpiperidin-1-yl]carbonyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]oxy}-3,5-dihydroxyhexanoic acid::oxypyrazole, 4gg

SMILES: CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)c1ccccc1

InChI Key: InChIKey=IOHTZUKUZYDMQM-GPUOULLFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18420   
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))		BDBM18420
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3R)-3-phenylpi...)
Show SMILES CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C30H36FN3O6/c1-19(2)27-28(29(39)33-14-6-9-21(17-33)20-7-4-3-5-8-20)32-34(23-12-10-22(31)11-13-23)30(27)40-18-25(36)15-24(35)16-26(37)38/h3-5,7-8,10-13,19,21,24-25,35-36H,6,9,14-18H2,1-2H3,(H,37,38)/t21-,24+,25-/m0/s1
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Article
PubMed
n/an/a 4.80n/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