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BDBM50042691 CHEMBL331524::Sodium; 7-[7-sec-butyl-2-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxy-hept-6-enoate

SMILES: CCC(C)C1CCCc2c1nn(c2\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1

InChI Key: InChIKey=DAFUDGKDVLOKKI-QLKLSRLDSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042691   
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))
BDBM50042691
PNG
(CHEMBL331524 | Sodium; 7-[7-sec-butyl-2-(4-fluoro-...)
Show SMILES CCC(C)C1CCCc2c1nn(c2\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H31FN2O4/c1-3-15(2)20-5-4-6-21-22(12-11-18(28)13-19(29)14-23(30)31)27(26-24(20)21)17-9-7-16(25)8-10-17/h7-12,15,18-20,28-29H,3-6,13-14H2,1-2H3,(H,30,31)/p-1/b12-11+/t15?,18-,19-,20?/m1/s1
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MMDB

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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 1.9-5.3


J Med Chem 36: 3674-85 (1994)


Article DOI: 10.1021/jm00075a024
BindingDB Entry DOI: 10.7270/Q2R78FVG
More data for this
Ligand-Target Pair