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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'fryszman' and Initial = 'om'   
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
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
BDBM50049219
PNG
(1-Phosphono-4-[4-(4-methylphenyl)phenyl]butylsulfo...)
Show SMILES Cc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C17H21O6PS/c1-13-5-9-15(10-6-13)16-11-7-14(8-12-16)3-2-4-17(24(18,19)20)25(21,22)23/h5-12,17H,2-4H2,1H3,(H2,18,19,20)(H,21,22,23)/p-3
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n/an/a 4.60E+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)
BDBM50049235
PNG
(CHEMBL158931 | Tripotassium salt of 4-(4'-Pentyl-b...)
Show SMILES CCCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H29O6PS/c1-2-3-4-6-17-9-13-19(14-10-17)20-15-11-18(12-16-20)7-5-8-21(28(22,23)24)29(25,26)27/h9-16,21H,2-8H2,1H3,(H2,22,23,24)(H,25,26,27)/p-3
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n/an/a 6.20E+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)
BDBM50049234
PNG
(CHEMBL158667 | Tripotassium salt of 1-Phosphono-4-...)
Show SMILES CCCc1cccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)c1
Show InChI InChI=1S/C19H25O7PS/c1-2-6-15-7-3-10-17(13-15)26-18-11-4-8-16(14-18)9-5-12-19(27(20,21)22)28(23,24)25/h3-4,7-8,10-11,13-14,19H,2,5-6,9,12H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3
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n/an/a 6.90E+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)
BDBM50049237
PNG
(CHEMBL347856 | Tripotassium salt of 1-Phosphono-4-...)
Show SMILES CCCc1cccc(c1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C19H25O6PS/c1-2-5-16-7-3-8-18(14-16)17-12-10-15(11-13-17)6-4-9-19(26(20,21)22)27(23,24)25/h3,7-8,10-14,19H,2,4-6,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3
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n/an/a 8.20E+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)
BDBM50049222
PNG
(1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...)
Show SMILES CCCc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1
Show InChI InChI=1S/C19H25O7PS/c1-2-5-15-10-12-17(13-11-15)26-18-8-3-6-16(14-18)7-4-9-19(27(20,21)22)28(23,24)25/h3,6,8,10-14,19H,2,4-5,7,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3
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n/an/a 1.42E+4n/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