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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'jolibois' and Initial = 'kg'   
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)
BDBM50031845
PNG
((4-Biphenyl-4-yl-1-phosphono-butyl)-phosphonic aci...)
Show SMILES OP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031845
PNG
((4-Biphenyl-4-yl-1-phosphono-butyl)-phosphonic aci...)
Show SMILES OP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049232
PNG
(CHEMBL348349 | Tetrasodium salt of 4-(4'-Methyl-bi...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/p-4/b12-8+
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031839
PNG
(((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+
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n/an/a 1n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031843
PNG
(((E)-8,12-Dimethyl-1-phosphono-trideca-7,11-dienyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H30O6P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15(22(16,17)18)23(19,20)21/h9-10,15H,4-8,11-12H2,1-3H3,(H2,16,17,18)(H2,19,20,21)/b14-10+
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n/an/a 2.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031848
PNG
(((E)-7,11-Dimethyl-1-phosphono-dodeca-6,10-dienyl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H28O6P2/c1-12(2)8-7-10-13(3)9-5-4-6-11-14(21(15,16)17)22(18,19)20/h8-9,14H,4-7,10-11H2,1-3H3,(H2,15,16,17)(H2,18,19,20)/b13-9+
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n/an/a 2.60n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031844
PNG
(((E)-1-Hydroxyphosphinoyl-6,10-dimethyl-undeca-5,9...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P(=O)=O)P([#8])([#8])[#8]
Show InChI InChI=1S/C13H26O5P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(19(14)15)20(16,17)18/h7-8,13,16-18,20H,4-6,9-10H2,1-3H3/b12-8+
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n/an/a 4n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031851
PNG
(((E)-10,14-Dimethyl-1-phosphono-pentadeca-9,13-die...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C17H34O6P2/c1-15(2)11-10-13-16(3)12-8-6-4-5-7-9-14-17(24(18,19)20)25(21,22)23/h11-12,17H,4-10,13-14H2,1-3H3,(H2,18,19,20)(H2,21,22,23)/b16-12+
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n/an/a 4.20n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031842
PNG
(CHEMBL86867 | [(5E,9E)-1-(Hydroxy-hydroxymethyl-ph...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])[#6]=O)P([#8])([#8])=O
Show InChI InChI=1S/C19H36O6P2/c1-16(2)9-7-11-18(4)13-8-12-17(3)10-5-6-14-19(27(23,24)25)26(21,22)15-20/h9-10,13,15,19,21-22,26H,5-8,11-12,14H2,1-4H3,(H2,23,24,25)/b17-10+,18-13+
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n/an/a 4.70n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049227
PNG
(CHEMBL158707 | Trisodium salt of [1-(Dimethoxy-pho...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8-])=O)P([#8-])([#8-])=O
Show InChI InChI=1S/C18H34O6P2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/p-3/b16-10+,17-13+
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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031847
PNG
(((5E,9E)-6,10,14-Trimethyl-1-phosphono-pentadeca-5...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C18H34O6P2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/b16-10+,17-13+
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n/an/a 5.70n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031832
PNG
(CHEMBL87922 | [(6E,10E)-1-(Hydroxy-methyl-phosphin...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C20H38O5P2/c1-17(2)11-9-13-19(4)15-10-14-18(3)12-7-6-8-16-20(26(5,21)22)27(23,24)25/h11-12,15,20H,6-10,13-14,16H2,1-5H3,(H,21,22)(H2,23,24,25)/b18-12+,19-15+
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n/an/a 6.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031859
PNG
(CHEMBL314797 | [(5E,9E)-1-(Hydroxy-methoxymethyl-p...)
Show SMILES [#6]-[#8]-[#6]P([#8])(=O)[#6](-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])P([#8])([#8])=O
Show InChI InChI=1S/C20H38O6P2/c1-17(2)10-8-12-19(4)14-9-13-18(3)11-6-7-15-20(28(23,24)25)27(21,22)16-26-5/h10-11,14,20H,6-9,12-13,15-16H2,1-5H3,(H,21,22)(H2,23,24,25)/b18-11+,19-14+
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n/an/a 6.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031862
PNG
(CHEMBL84629 | [(E)-1-(Hydroxy-methyl-phosphinoyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C18H36O5P2/c1-16(2)12-11-14-17(3)13-9-7-5-6-8-10-15-18(24(4,19)20)25(21,22)23/h12-13,18H,5-11,14-15H2,1-4H3,(H,19,20)(H2,21,22,23)/b17-13+
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n/an/a 8.70n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031836
PNG
(((8E,12E)-9,13,17-Trimethyl-1-phosphono-octadeca-8...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H40O6P2/c1-18(2)12-10-14-20(4)16-11-15-19(3)13-8-6-5-7-9-17-21(28(22,23)24)29(25,26)27/h12-13,16,21H,5-11,14-15,17H2,1-4H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-16+
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n/an/a 11.8n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031849
PNG
(CHEMBL86918 | [(5E,9E)-1-(Hydroxy-methyl-phosphino...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C19H36O5P2/c1-16(2)10-8-12-18(4)14-9-13-17(3)11-6-7-15-19(25(5,20)21)26(22,23)24/h10-11,14,19H,6-9,12-13,15H2,1-5H3,(H,20,21)(H2,22,23,24)/b17-11+,18-14+
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n/an/a 12.9n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049217
PNG
(CHEMBL158517 | Tripotassium salt of 1-Phosphono-4-...)
Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)-c1ccccn1)S([O-])(=O)=O
Show InChI InChI=1S/C21H22NO6PS/c23-29(24,25)21(30(26,27)28)6-3-4-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-5-1-2-15-22-20/h1-2,5,7-15,21H,3-4,6H2,(H2,23,24,25)(H,26,27,28)/p-3
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031837
PNG
(CHEMBL87489 | [(E)-1-(Hydroxy-methoxymethyl-phosph...)
Show SMILES [#6]-[#8]-[#6]P([#8])(=O)[#6](-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])P([#8])([#8])=O
Show InChI InChI=1S/C15H30O6P2/c1-13(2)8-7-10-14(3)9-5-6-11-15(23(18,19)20)22(16,17)12-21-4/h8-9,15H,5-7,10-12H2,1-4H3,(H,16,17)(H2,18,19,20)/b14-9+
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n/an/a 13.1n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031840
PNG
(CHEMBL84961 | [4-Biphenyl-4-yl-1-(hydroxy-methoxym...)
Show SMILES COCP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C18H24O6P2/c1-24-14-25(19,20)18(26(21,22)23)9-5-6-15-10-12-17(13-11-15)16-7-3-2-4-8-16/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,19,20)(H2,21,22,23)
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n/an/a 14.8n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049233
PNG
(CHEMBL160240 | Tripotassium salt of 4-Biphenyl-4-y...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O
Show InChI InChI=1S/C18H33O6PS/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/p-3/b16-10+,17-13+
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049230
PNG
(CHEMBL160267 | Tripotassium salt of 4-{3-[2-(4-Met...)
Show SMILES CC(C)CCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H29O7PS/c1-16(2)13-14-18-9-3-4-11-20(18)28-19-10-5-7-17(15-19)8-6-12-21(29(22,23)24)30(25,26)27/h3-5,7,9-11,15-16,21H,6,8,12-14H2,1-2H3,(H2,22,23,24)(H,25,26,27)/p-3
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031854
PNG
(((E)-9,13-Dimethyl-1-phosphono-tetradeca-8,12-dien...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H32O6P2/c1-14(2)10-9-12-15(3)11-7-5-4-6-8-13-16(23(17,18)19)24(20,21)22/h10-11,16H,4-9,12-13H2,1-3H3,(H2,17,18,19)(H2,20,21,22)/b15-11+
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n/an/a 17.6n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049215
PNG
(1-Phosphono-4-[3-(2-benzylphenoxy)phenyl]butylsulf...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2Cc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/p-3
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049228
PNG
(CHEMBL158448 | Tripotassium salt of 4-{3-[2-(3-Met...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1ccccc1-[#8]-c1cccc(-[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O)c1
Show InChI InChI=1S/C21H27O7PS/c1-16(2)13-14-18-9-3-4-11-20(18)28-19-10-5-7-17(15-19)8-6-12-21(29(22,23)24)30(25,26)27/h3-5,7,9-11,13,15,21H,6,8,12,14H2,1-2H3,(H2,22,23,24)(H,25,26,27)/p-3
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031855
PNG
(CHEMBL86621 | [4-Biphenyl-4-yl-1-(hydroxy-hydroxym...)
Show SMILES OP(O)(C=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C17H22O6P2/c18-13-24(19,20)17(25(21,22)23)8-4-5-14-9-11-16(12-10-14)15-6-2-1-3-7-15/h1-3,6-7,9-13,17,19-20,24H,4-5,8H2,(H2,21,22,23)
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n/an/a 23.9n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031850
PNG
(CHEMBL420416 | [(E)-1-(Hydroxy-methyl-phosphinoyl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H32O5P2/c1-14(2)10-9-12-15(3)11-7-5-6-8-13-16(22(4,17)18)23(19,20)21/h10-11,16H,5-9,12-13H2,1-4H3,(H,17,18)(H2,19,20,21)/b15-11+
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n/an/a 30.7n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031853
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+
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n/an/a 32.4n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049223
PNG
(CHEMBL158851 | Tripotassium salt of4-[3-(2-Butyl-p...)
Show SMILES CCCCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
Show InChI InChI=1S/C20H27O7PS/c1-2-3-10-17-11-4-5-13-19(17)27-18-12-6-8-16(15-18)9-7-14-20(28(21,22)23)29(24,25)26/h4-6,8,11-13,15,20H,2-3,7,9-10,14H2,1H3,(H2,21,22,23)(H,24,25,26)/p-3
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049224
PNG
(CHEMBL158862 | Tripotassium salt of 1-Phosphono-4-...)
Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)S([O-])(=O)=O
Show InChI InChI=1S/C22H23O6PS/c23-29(24,25)22(30(26,27)28)8-4-5-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-6-2-1-3-7-18/h1-3,6-7,9-16,22H,4-5,8H2,(H2,23,24,25)(H,26,27,28)/p-3
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031846
PNG
(((E)-4,8-Dimethyl-1-phosphono-nona-3,7-dienyl)-pho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C11H22O6P2/c1-9(2)5-4-6-10(3)7-8-11(18(12,13)14)19(15,16)17/h5,8,10H,4,6-7H2,1-3H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 35.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031861
PNG
(CHEMBL87822 | [(E)-1-(Hydroxy-hydroxymethyl-phosph...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])[#6]=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H28O6P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(22(18,19)20)21(16,17)11-15/h7-8,11,14,16-17,21H,4-6,9-10H2,1-3H3,(H2,18,19,20)/b13-8+
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n/an/a 38.7n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049221
PNG
(CHEMBL158978 | Tripotassium salt of 4-(4'-But-1-en...)
Show SMILES [#6]\[#6](-[#6])=[#6]/c1ccc(cc1)-c1ccc(-[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O)cc1
Show InChI InChI=1S/C20H25O6PS/c1-15(2)14-17-8-12-19(13-9-17)18-10-6-16(7-11-18)4-3-5-20(27(21,22)23)28(24,25)26/h6-14,20H,3-5H2,1-2H3,(H2,21,22,23)(H,24,25,26)/p-3
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n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031841
PNG
(((E)-5,9-Dimethyl-1-phosphono-deca-4,8-dienyl)-pho...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O |w:8.8|
Show InChI InChI=1S/C12H24O6P2/c1-10(2)6-4-7-11(3)8-5-9-12(19(13,14)15)20(16,17)18/h6,8,12H,4-5,7,9H2,1-3H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 77.7n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031858
PNG
(CHEMBL86580 | [(E)-1-(Hydroxy-methyl-phosphinoyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H28O5P2/c1-12(2)8-7-10-13(3)9-5-6-11-14(20(4,15)16)21(17,18)19/h8-9,14H,5-7,10-11H2,1-4H3,(H,15,16)(H2,17,18,19)/b13-9+
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n/an/a 81n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031834
PNG
(CHEMBL86919 | [(3E,7E)-1-(Hydroxy-methyl-phosphino...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](P([#6])([#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C17H32O5P2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17(23(5,18)19)24(20,21)22/h8,10,13,16H,6-7,9,11-12H2,1-5H3,(H,18,19)(H2,20,21,22)/b15-10+,17-13?
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n/an/a 106n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049225
PNG
(CHEMBL351866 | Tripotassium salt of 4-(4'-Propyl-b...)
Show SMILES CCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C19H25O6PS/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(26(20,21)22)27(23,24)25/h7-14,19H,2-6H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3
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n/an/a 144n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049236
PNG
((+/-)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/p-3
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n/an/a 169n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049229
PNG
(1-Phosphono-4-[4-(4-butylphenyl)phenyl]butylsulfon...)
Show SMILES CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C20H27O6PS/c1-2-3-5-16-8-12-18(13-9-16)19-14-10-17(11-15-19)6-4-7-20(27(21,22)23)28(24,25)26/h8-15,20H,2-7H2,1H3,(H2,21,22,23)(H,24,25,26)/p-3
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n/an/a 192n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049226
PNG
(CHEMBL158527 | Tripotassium salt of 1-Phosphono-4-...)
Show SMILES Cc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
Show InChI InChI=1S/C17H21O7PS/c1-13-6-2-3-10-16(13)24-15-9-4-7-14(12-15)8-5-11-17(25(18,19)20)26(21,22)23/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,18,19,20)(H,21,22,23)/p-3
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049220
PNG
(CHEMBL346762 | Tripotassium salt of 1-Phosphono-4-...)
Show SMILES CCCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
Show InChI InChI=1S/C19H25O7PS/c1-2-7-16-10-3-4-12-18(16)26-17-11-5-8-15(14-17)9-6-13-19(27(20,21)22)28(23,24)25/h3-5,8,10-12,14,19H,2,6-7,9,13H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3
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n/an/a 268n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049218
PNG
(CHEMBL159021 | Tripotassium salt of 4-[3-(2-Phenox...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2Oc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C22H23O8PS/c23-31(24,25)22(32(26,27)28)15-7-9-17-8-6-12-19(16-17)30-21-14-5-4-13-20(21)29-18-10-2-1-3-11-18/h1-6,8,10-14,16,22H,7,9,15H2,(H2,23,24,25)(H,26,27,28)/p-3
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n/an/a 286n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031838
PNG
(CHEMBL315239 | [(E)-1-(Hydroxy-methyl-phosphinoyl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C17H34O5P2/c1-15(2)11-10-13-16(3)12-8-6-5-7-9-14-17(23(4,18)19)24(20,21)22/h11-12,17H,5-10,13-14H2,1-4H3,(H,18,19)(H2,20,21,22)/b16-12+
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n/an/a 374n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031863
PNG
(CHEMBL441807 | [4-Biphenyl-4-yl-1-(hydroxy-methyl-...)
Show SMILES CP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C17H22O5P2/c1-23(18,19)17(24(20,21)22)9-5-6-14-10-12-16(13-11-14)15-7-3-2-4-8-15/h2-4,7-8,10-13,17H,5-6,9H2,1H3,(H,18,19)(H2,20,21,22)
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n/an/a 490n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031856
PNG
(CHEMBL86707 | [(E)-1-(Hydroxy-methyl-phosphinoyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H30O5P2/c1-13(2)9-8-11-14(3)10-6-5-7-12-15(21(4,16)17)22(18,19)20/h9-10,15H,5-8,11-12H2,1-4H3,(H,16,17)(H2,18,19,20)/b14-10+
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n/an/a 605n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049238
PNG
(CHEMBL158154 | trisodium (5E)-6,10-dimethyl-1-phos...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O
Show InChI InChI=1S/C13H25O6PS/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H,17,18,19)/p-3/b12-8+
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n/an/a 740n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031835
PNG
((6E,10E)-7,11,15-Trimethyl-2-phosphono-hexadeca-6,...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](-[#6](-[#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C19H33O5P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19(20)21)25(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H,20,21)(H2,22,23,24)/b16-10+,17-13+
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n/an/a 880n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031833
PNG
((E)-7,11-Dimethyl-2-phosphono-dodeca-6,10-dienoic ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](-[#6](-[#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H25O5P/c1-11(2)7-6-9-12(3)8-4-5-10-13(14(15)16)20(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H,15,16)(H2,17,18,19)/b12-8+
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n/an/a 1.65E+3n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049231
PNG
(CHEMBL347175 | CHEMBL513790 | Trisodium salt of 4-...)
Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)S([O-])(=O)=O
Show InChI InChI=1S/C16H19O6PS/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22)/p-3
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n/an/a 1.98E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50049216
PNG
(CHEMBL160796 | Tripotassium salt of 4-(4'-Ethyl-bi...)
Show SMILES CCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C18H23O6PS/c1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(25(19,20)21)26(22,23)24/h6-13,18H,2-5H2,1H3,(H2,19,20,21)(H,22,23,24)/p-3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031857
PNG
(5-Biphenyl-4-yl-2-phosphono-pentanoic acid | CHEMB...)
Show SMILES OC(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C17H19O5P/c18-17(19)16(23(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H,18,19)(H2,20,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
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