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3 similar compounds to monomer 50007252

Compile data set for download or QSAR
Wt: 439.8
BDBM50007305
Wt: 383.8
BDBM50007282
Wt: 459.5
BDBM50007287

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50007305,50007282,50007287   
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))
BDBM50007282
PNG
(CHEMBL101662 | Sodium; 6-(4-chloro-2-cyclohexylmet...)
Show SMILES Cc1cc(Cl)cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C20H29ClO5/c1-13-7-16(21)9-15(8-14-5-3-2-4-6-14)20(13)26-12-18(23)10-17(22)11-19(24)25/h7,9,14,17-18,22-23H,2-6,8,10-12H2,1H3,(H,24,25)/p-1/t17-,18?/m1/s1
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n/an/a 75n/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))
BDBM50007305
PNG
(CHEMBL319983 | Sodium; 6-{4-chloro-2-[3-(4-fluoro-...)
Show SMILES Cc1cc(Cl)cc(CCCOc2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H26ClFO6/c1-14-9-16(23)10-15(3-2-8-29-20-6-4-17(24)5-7-20)22(14)30-13-19(26)11-18(25)12-21(27)28/h4-7,9-10,18-19,25-26H,2-3,8,11-13H2,1H3,(H,27,28)/p-1/t18-,19?/m1/s1
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n/an/a 80n/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))
BDBM50007287
PNG
(CHEMBL317726 | Sodium; 6-{2-cyclopentyl-6-[3-(4-fl...)
Show SMILES OC(COc1c(CCCOc2ccc(F)cc2)cccc1C1CCCC1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C26H33FO6/c27-20-10-12-23(13-11-20)32-14-4-8-19-7-3-9-24(18-5-1-2-6-18)26(19)33-17-22(29)15-21(28)16-25(30)31/h3,7,9-13,18,21-22,28-29H,1-2,4-6,8,14-17H2,(H,30,31)/p-1/t21-,22?/m1/s1
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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