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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 = 'BDBM50007253'   
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))
BDBM50007253
PNG
(CHEMBL101512 | Sodium; 6-[2,4-dichloro-6-(cyclohex...)
Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C19H23Cl2FO5/c20-12-6-15(18(22)11-4-2-1-3-5-11)19(16(21)7-12)27-10-14(24)8-13(23)9-17(25)26/h6-7,13-14,23-24H,1-5,8-10H2,(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 95n/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