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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HMG-CoA reductase' and Ligand = 'BDBM50007254'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007254
PNG
(CHEMBL103139 | Sodium; 6-[2-(4-fluoro-phenyl)-4-me...)
Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(nc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FNO5/c1-13-18-4-2-3-5-19(18)24-21(14-6-8-15(23)9-7-14)22(13)29-12-17(26)10-16(25)11-20(27)28/h2-9,16-17,25-26H,10-12H2,1H3,(H,27,28)/p-1/t16-,17?/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver.


J Med Chem 34: 2962-83 (1991)


Article DOI: 10.1021/jm00114a004
BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair