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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 = 'BDBM50014829'   
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))
BDBM50014829
PNG
((E)-6-{2-[6-(3,5-Dimethyl-phenyl)-4-(4-fluoro-phen...)
Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C29H30FNO3/c1-17(2)29-25(10-9-24-14-23(32)15-28(33)34-24)26(20-5-7-22(30)8-6-20)16-27(31-29)21-12-18(3)11-19(4)13-21/h5-13,16-17,23-24,32H,14-15H2,1-4H3/b10-9+/t23-,24-/m1/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


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


J Med Chem 33: 52-60 (1990)


Article DOI: 10.1021/jm00163a010
BindingDB Entry DOI: 10.7270/Q22N5177
More data for this
Ligand-Target Pair