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Articleid 50029806

Compile data set for download or QSAR
Found 9 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)		BDBM50288129
PNG
((2-Phenyl-propyl)-{2-[4-((E)-styryl)-phenoxy]-ethy...)
Show SMILES CC(CNCCOc1ccc(\C=C\c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-21(24-10-6-3-7-11-24)20-26-18-19-27-25-16-14-23(15-17-25)13-12-22-8-4-2-5-9-22/h2-17,21,26H,18-20H2,1H3/b13-12+
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50288124
PNG
(Benzyl-{2-[4-((E)-styryl)-phenoxy]-ethyl}-amine | ...)
Show SMILES C(COc1ccc(\C=C\c2ccccc2)cc1)NCc1ccccc1
Show InChI InChI=1S/C23H23NO/c1-3-7-20(8-4-1)11-12-21-13-15-23(16-14-21)25-18-17-24-19-22-9-5-2-6-10-22/h1-16,24H,17-19H2/b12-11+
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50288127
PNG
(CHEMBL312125 | [2-(4-Benzyloxy-phenoxy)-ethyl]-(2-...)
Show SMILES CC(CNCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C24H27NO2/c1-20(22-10-6-3-7-11-22)18-25-16-17-26-23-12-14-24(15-13-23)27-19-21-8-4-2-5-9-21/h2-15,20,25H,16-19H2,1H3
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50288123
PNG
(CHEMBL82277 | [2-(4-Benzyloxy-phenoxy)-ethyl]-phen...)
Show SMILES C(COc1ccc(OCc2ccccc2)cc1)NCCc1ccccc1
Show InChI InChI=1S/C23H25NO2/c1-3-7-20(8-4-1)15-16-24-17-18-25-22-11-13-23(14-12-22)26-19-21-9-5-2-6-10-21/h1-14,24H,15-19H2
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50288128
PNG
(Benzyl-(4-benzyloxy-benzyl)-amine | CHEMBL82015)
Show SMILES C(NCc1ccc(OCc2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C21H21NO/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50288125
PNG
(Benzyl-[2-(4-benzyloxy-phenoxy)-ethyl]-amine | CHE...)
Show SMILES C(COc1ccc(OCc2ccccc2)cc1)NCc1ccccc1
Show InChI InChI=1S/C22H23NO2/c1-3-7-19(8-4-1)17-23-15-16-24-21-11-13-22(14-12-21)25-18-20-9-5-2-6-10-20/h1-14,23H,15-18H2
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50047461
PNG
(Benzyl-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-tri...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C22H33N/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-23-18-22-14-6-5-7-15-22/h5-7,10,12,14-16,23H,8-9,11,13,17-18H2,1-4H3/b20-12+,21-16+
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50288126
PNG
(Benzyl-{2-[2-(4-benzyloxy-phenoxy)-ethoxy]-ethyl}-...)
Show SMILES C(COCCOc1ccc(OCc2ccccc2)cc1)NCc1ccccc1
Show InChI InChI=1S/C24H27NO3/c1-3-7-21(8-4-1)19-25-15-16-26-17-18-27-23-11-13-24(14-12-23)28-20-22-9-5-2-6-10-22/h1-14,25H,15-20H2
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)		BDBM50288122
PNG
(Benzyl-[2-(4-methoxy-phenoxy)-ethyl]-amine | CHEMB...)
Show SMILES COc1ccc(OCCNCc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO2/c1-18-15-7-9-16(10-8-15)19-12-11-17-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
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n/an/a 8.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay

Bioorg Med Chem Lett 6: 2491-2494 (1996)


Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%