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PubMed code 26433631

Compile data set for download or QSAR
Found 6 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 synthase


(Rattus norvegicus)
BDBM50125785
PNG
(CHEMBL3623842)
Show SMILES Br.OC1(CN2CCCCC2CO1)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C22H23NO2.BrH/c24-22(15-23-12-4-3-6-19(23)14-25-22)18-10-11-21-17(13-18)9-8-16-5-1-2-7-20(16)21;/h1-2,5,7-11,13,19,24H,3-4,6,12,14-15H2;1H
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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as reduction in conversion of [3H]farnesyl pyrophosphate to squalene incubated for 3...


Bioorg Med Chem 23: 7015-23 (2015)


Article DOI: 10.1016/j.bmc.2015.09.034
BindingDB Entry DOI: 10.7270/Q2SJ1NFB
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50125784
PNG
(CHEMBL3623843)
Show SMILES Br.CN1CC(O)(OC2CCCCC12)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C23H25NO2.BrH/c1-24-15-23(25,26-22-9-5-4-8-21(22)24)18-12-13-20-17(14-18)11-10-16-6-2-3-7-19(16)20;/h2-3,6-7,10-14,21-22,25H,4-5,8-9,15H2,1H3;1H
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as reduction in conversion of [3H]farnesyl pyrophosphate to squalene incubated for 3...


Bioorg Med Chem 23: 7015-23 (2015)


Article DOI: 10.1016/j.bmc.2015.09.034
BindingDB Entry DOI: 10.7270/Q2SJ1NFB
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50125786
PNG
(CHEMBL3623841)
Show SMILES Br.CN1CCOC(O)(C1)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C19H19NO2.BrH/c1-20-10-11-22-19(21,13-20)16-8-9-18-15(12-16)7-6-14-4-2-3-5-17(14)18;/h2-9,12,21H,10-11,13H2,1H3;1H
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as reduction in conversion of [3H]farnesyl pyrophosphate to squalene incubated for 3...


Bioorg Med Chem 23: 7015-23 (2015)


Article DOI: 10.1016/j.bmc.2015.09.034
BindingDB Entry DOI: 10.7270/Q2SJ1NFB
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50125787
PNG
(CHEMBL3623679)
Show SMILES Br.CN1CC(O)(OC2CCCCC12)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C21H31NO2.BrH/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16;/h11-14,16,19-20,23H,2-10,15H2,1H3;1H
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as reduction in conversion of [3H]farnesyl pyrophosphate to squalene incubated for 3...


Bioorg Med Chem 23: 7015-23 (2015)


Article DOI: 10.1016/j.bmc.2015.09.034
BindingDB Entry DOI: 10.7270/Q2SJ1NFB
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50125788
PNG
(CHEMBL3623678)
Show SMILES Br.OC1(CN2CCCCC2CO1)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C20H29NO2.BrH/c22-20(15-21-13-5-4-8-19(21)14-23-20)18-11-9-17(10-12-18)16-6-2-1-3-7-16;/h9-12,16,19,22H,1-8,13-15H2;1H
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Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as reduction in conversion of [3H]farnesyl pyrophosphate to squalene incubated for 3...


Bioorg Med Chem 23: 7015-23 (2015)


Article DOI: 10.1016/j.bmc.2015.09.034
BindingDB Entry DOI: 10.7270/Q2SJ1NFB
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50125789
PNG
(CHEMBL3623677)
Show SMILES Br.CN1CCOC(O)(C1)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C17H25NO2.BrH/c1-18-11-12-20-17(19,13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h7-10,14,19H,2-6,11-13H2,1H3;1H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as reduction in conversion of [3H]farnesyl pyrophosphate to squalene incubated for 3...


Bioorg Med Chem 23: 7015-23 (2015)


Article DOI: 10.1016/j.bmc.2015.09.034
BindingDB Entry DOI: 10.7270/Q2SJ1NFB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%