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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 = 50024642   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50024642
PNG
(3-Methyl-but-3-enoic acid 8-[2-(4-hydroxy-6-oxo-te...)
Show SMILES C[C@@H]1C[C@H](OC(=O)CC(C)=C)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C24H34O5/c1-14(2)9-22(26)29-21-11-15(3)10-17-6-5-16(4)20(24(17)21)8-7-19-12-18(25)13-23(27)28-19/h5-6,10,15-16,18-21,24-25H,1,7-9,11-13H2,2-4H3/t15-,16-,18+,19?,20-,21-,24?/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase.


J Med Chem 29: 849-52 (1986)


Article DOI: 10.1021/jm00155a040
BindingDB Entry DOI: 10.7270/Q2BZ652M
More data for this
Ligand-Target Pair