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2 similar compounds to monomer 50007263

Compile data set for download or QSAR
Wt: 510.3
BDBM50007289
Wt: 538.3
BDBM50007298

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50007289,50007298   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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PC sid
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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
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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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))
BDBM50007298
PNG
(CHEMBL101097 | Sodium; 6-{2-[bis-(4-fluoro-3-methy...)
Show SMILES Cc1cc(ccc1F)C(c1ccc(F)c(C)c1)c1cc(Cl)cc(Cl)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H26Cl2F2O5/c1-14-7-16(3-5-23(14)30)26(17-4-6-24(31)15(2)8-17)21-9-18(28)10-22(29)27(21)36-13-20(33)11-19(32)12-25(34)35/h3-10,19-20,26,32-33H,11-13H2,1-2H3,(H,34,35)/p-1/t19-,20?/m1/s1
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PubMed
n/an/a 1.00E+3n/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