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Articleid 50029063

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Squalene monooxygenase


(Rattus norvegicus)
BDBM50281098
PNG
(2,2-dimethyl-3-[3,7,12-trimethyl-14-[3-methyl-3-(4...)
Show SMILES CC(C)=CCCC1(C)OC1CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
Show InChI InChI=1S/C30H50O2/c1-23(2)13-12-22-30(8)28(32-30)21-19-25(4)15-10-9-14-24(3)16-11-17-26(5)18-20-27-29(6,7)31-27/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-15+,26-17+/t27-,28?,30?/m0/s1
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Article
n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against squalene epoxidase from rat liver microsomes


Bioorg Med Chem Lett 3: 2581-2586 (1993)


Article DOI: 10.1016/S0960-894X(01)80720-4
BindingDB Entry DOI: 10.7270/Q24F1QNX
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Rattus norvegicus)
BDBM50281100
PNG
(2,2-dimethyl-3-[3-methyl-6-{2-methyl-3-[4,8,12-tri...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1OC1(C)CC\C=C(/C)CC[C@@H]1OC1(C)C
Show InChI InChI=1S/C30H50O2/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-19-28-30(8,32-28)22-12-18-26(5)20-21-27-29(6,7)31-27/h13,15,17-18,27-28H,9-12,14,16,19-22H2,1-8H3/b24-15+,25-17+,26-18+/t27-,28?,30?/m0/s1
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Article
n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against squalene epoxidase from rat liver microsomes


Bioorg Med Chem Lett 3: 2581-2586 (1993)


Article DOI: 10.1016/S0960-894X(01)80720-4
BindingDB Entry DOI: 10.7270/Q24F1QNX
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Rattus norvegicus)
BDBM50280129
PNG
(2-Methyl-2-(4-methyl-pent-3-enyl)-3-((3E,7E,11E)-3...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CCC1OC1(C)CCC=C(C)C
Show InChI InChI=1S/C30H50O/c1-24(2)14-11-18-27(6)20-12-19-26(5)16-9-10-17-28(7)21-22-29-30(8,31-29)23-13-15-25(3)4/h14-17,20,29H,9-13,18-19,21-23H2,1-8H3/b26-16+,27-20+,28-17+
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Article
n/an/a 3.18E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against squalene epoxidase from rat liver microsomes


Bioorg Med Chem Lett 3: 2581-2586 (1993)


Article DOI: 10.1016/S0960-894X(01)80720-4
BindingDB Entry DOI: 10.7270/Q24F1QNX
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Rattus norvegicus)
BDBM50281099
PNG
(2-((E)-4,8-Dimethyl-nona-3,7-dienyl)-2-methyl-3-((...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1OC1(C)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C30H50O/c1-24(2)14-9-16-26(5)18-11-19-27(6)20-12-22-29-30(8,31-29)23-13-21-28(7)17-10-15-25(3)4/h14-15,18,20-21,29H,9-13,16-17,19,22-23H2,1-8H3/b26-18+,27-20+,28-21+
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Article
n/an/a 5.09E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against squalene epoxidase from rat liver microsomes


Bioorg Med Chem Lett 3: 2581-2586 (1993)


Article DOI: 10.1016/S0960-894X(01)80720-4
BindingDB Entry DOI: 10.7270/Q24F1QNX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%