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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HMG-CoA Reductase' and Monomerid = 50280364   
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))
BDBM50280364
PNG
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)
Show SMILES CCC\C(C)=C\[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C30H48O5/c1-7-9-19(3)14-21-15-22-11-10-20(4)25(13-12-24-17-23(31)18-27(32)34-24)28(22)26(16-21)35-29(33)30(5,6)8-2/h10-11,14,20-26,28,31H,7-9,12-13,15-18H2,1-6H3/b19-14+/t20-,21-,22-,23+,24+,25-,26-,28-/m0/s1
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Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase


Bioorg Med Chem Lett 2: 223-228 (1992)


Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59
More data for this
Ligand-Target Pair