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BDBM22160 pyrazole compound, 14a::sodium 5-({5-[(1E,3S,5R)-6-carboxy-3,5-dihydroxyhex-1-en-1-yl]-4-(4-fluorophenyl)-6-(1-methylethyl)pyrimidin-2-yl}amino)-1-methyl-1H-pyrazole-3-carboxylate::sodium 5-({5-[(1E,3S,5R)-6-carboxy-3,5-dihydroxyhex-1-en-1-yl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}amino)-1-methyl-1H-pyrazole-3-carboxylate

SMILES: CC(C)c1nc(Nc2cc(nn2C)C(O)=O)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O

InChI Key: InChIKey=FHALQUHVYPUUQM-PIIXRYACSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22160   
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))
BDBM22160
PNG
(pyrazole compound, 14a | sodium 5-({5-[(1E,3S,5R)-...)
Show SMILES CC(C)c1nc(Nc2cc(nn2C)C(O)=O)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C25H28FN5O6/c1-13(2)22-18(9-8-16(32)10-17(33)11-21(34)35)23(14-4-6-15(26)7-5-14)29-25(28-22)27-20-12-19(24(36)37)30-31(20)3/h4-9,12-13,16-17,32-33H,10-11H2,1-3H3,(H,34,35)(H,36,37)(H,27,28,29)/b9-8+/t16-,17-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.900n/a 13.7n/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