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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 = 'BDBM50007262'   
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))
BDBM50007262
PNG
(CHEMBL330662 | Sodium; 6-[2,4-dichloro-5-(4-fluoro...)
Show SMILES OC(COc1cc(OCc2ccc(F)cc2)c(Cl)cc1Cl)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C19H19Cl2FO6/c20-15-7-16(21)18(28-10-14(24)5-13(23)6-19(25)26)8-17(15)27-9-11-1-3-12(22)4-2-11/h1-4,7-8,13-14,23-24H,5-6,9-10H2,(H,25,26)/p-1/t13-,14?/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/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