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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 = 'BDBM50014818'   
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))
BDBM50014818
PNG
((E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-pheny...)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc(cc1-c1ccc(F)cc1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C30H30FNO3/c31-23-13-11-20(12-14-23)27-19-28(21-7-3-1-4-8-21)32-30(22-9-5-2-6-10-22)26(27)16-15-25-17-24(33)18-29(34)35-25/h1,3-4,7-8,11-16,19,22,24-25,33H,2,5-6,9-10,17-18H2/b16-15+/t24-,25-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 30n/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