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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'HMG-CoA reductase' and Ligand = 'BDBM50007289'   
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))
BDBM50007289
PNG
(CHEMBL100721 | Sodium; 6-{2-[bis-(4-fluoro-phenyl)...)
Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C25H22Cl2F2O5/c26-16-9-21(25(22(27)10-16)34-13-20(31)11-19(30)12-23(32)33)24(14-1-5-17(28)6-2-14)15-3-7-18(29)8-4-15/h1-10,19-20,24,30-31H,11-13H2,(H,32,33)/p-1/t19-,20?/m1/s1
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 50n/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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007289
PNG
(CHEMBL100721 | Sodium; 6-{2-[bis-(4-fluoro-phenyl)...)
Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C25H22Cl2F2O5/c26-16-9-21(25(22(27)10-16)34-13-20(31)11-19(30)12-23(32)33)24(14-1-5-17(28)6-2-14)15-3-7-18(29)8-4-15/h1-10,19-20,24,30-31H,11-13H2,(H,32,33)/p-1/t19-,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 950n/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