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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'fryszman' and Initial = 'o'   
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126193
PNG
(CHEMBL27660 | {4-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES Cc1cccc(COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc23)OCc2cccc(C)n2)n1
Show InChI InChI=1S/C34H35F3N3O4P/c1-24-11-9-13-26(39-24)21-43-45(42,44-22-27-14-10-12-25(2)40-27)20-8-7-19-33(32(41)38-23-34(35,36)37)30-17-5-3-15-28(30)29-16-4-6-18-31(29)33/h3-6,9-18H,7-8,19-23H2,1-2H3,(H,38,41)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126188
PNG
(CHEMBL28348 | [4-(9-Propylcarbamoyl-9H-fluoren-9-y...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCCC)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C29H42NO4P/c1-4-7-21-33-35(32,34-22-8-5-2)23-14-13-19-29(28(31)30-20-6-3)26-17-11-9-15-24(26)25-16-10-12-18-27(25)29/h9-12,15-18H,4-8,13-14,19-23H2,1-3H3,(H,30,31)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126207
PNG
((4-{9-[2-(4-Methoxy-phenyl)-ethylcarbamoyl]-9H-flu...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCCc2ccc(OC)cc2)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C35H46NO5P/c1-4-6-25-40-42(38,41-26-7-5-2)27-13-12-23-35(34(37)36-24-22-28-18-20-29(39-3)21-19-28)32-16-10-8-14-30(32)31-15-9-11-17-33(31)35/h8-11,14-21H,4-7,12-13,22-27H2,1-3H3,(H,36,37)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126201
PNG
(CHEMBL282785 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C28H37F3NO4P/c1-3-5-18-35-37(34,36-19-6-4-2)20-12-11-17-27(26(33)32-21-28(29,30)31)24-15-9-7-13-22(24)23-14-8-10-16-25(23)27/h7-10,13-16H,3-6,11-12,17-21H2,1-2H3,(H,32,33)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126201
PNG
(CHEMBL282785 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C28H37F3NO4P/c1-3-5-18-35-37(34,36-19-6-4-2)20-12-11-17-27(26(33)32-21-28(29,30)31)24-15-9-7-13-22(24)23-14-8-10-16-25(23)27/h7-10,13-16H,3-6,11-12,17-21H2,1-2H3,(H,32,33)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126209
PNG
(CHEMBL283897 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP(=O)(OCc2cccnc2)OCc2cccnc2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C32H31F3N3O4P/c33-32(34,35)23-38-30(39)31(28-13-3-1-11-26(28)27-12-2-4-14-29(27)31)15-5-6-18-43(40,41-21-24-9-7-16-36-19-24)42-22-25-10-8-17-37-20-25/h1-4,7-14,16-17,19-20H,5-6,15,18,21-23H2,(H,38,39)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126225
PNG
(CHEMBL26665 | {4-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP(=O)(OCCCc2ccccn2)OCCCc2ccccn2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C36H39F3N3O4P/c37-36(38,39)27-42-34(43)35(32-19-3-1-17-30(32)31-18-2-4-20-33(31)35)21-7-10-26-47(44,45-24-11-15-28-13-5-8-22-40-28)46-25-12-16-29-14-6-9-23-41-29/h1-6,8-9,13-14,17-20,22-23H,7,10-12,15-16,21,24-27H2,(H,42,43)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126212
PNG
(CHEMBL280283 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP(=O)(OCc2ccccn2)OCc2ccccn2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C32H31F3N3O4P/c33-32(34,35)23-38-30(39)31(28-15-3-1-13-26(28)27-14-2-4-16-29(27)31)17-7-10-20-43(40,41-21-24-11-5-8-18-36-24)42-22-25-12-6-9-19-37-25/h1-6,8-9,11-16,18-19H,7,10,17,20-23H2,(H,38,39)
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126223
PNG
(CHEMBL282564 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES CC(C)(C)COP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCC(C)(C)C
Show InChI InChI=1S/C30H41F3NO4P/c1-27(2,3)20-37-39(36,38-21-28(4,5)6)18-12-11-17-29(26(35)34-19-30(31,32)33)24-15-9-7-13-22(24)23-14-8-10-16-25(23)29/h7-10,13-16H,11-12,17-21H2,1-6H3,(H,34,35)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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)		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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126192
PNG
(CHEMBL265738 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP(=O)(OCCc2ccccn2)OCCc2ccccn2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C34H35F3N3O4P/c35-34(36,37)25-40-32(41)33(30-15-3-1-13-28(30)29-14-2-4-16-31(29)33)19-7-10-24-45(42,43-22-17-26-11-5-8-20-38-26)44-23-18-27-12-6-9-21-39-27/h1-6,8-9,11-16,20-21H,7,10,17-19,22-25H2,(H,40,41)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126222
PNG
(CHEMBL28034 | {4-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES Cc1cccc(CCCOP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc23)OCCCc2cccc(C)n2)n1
Show InChI InChI=1S/C38H43F3N3O4P/c1-28-13-9-15-30(43-28)17-11-24-47-49(46,48-25-12-18-31-16-10-14-29(2)44-31)26-8-7-23-37(36(45)42-27-38(39,40)41)34-21-5-3-19-32(34)33-20-4-6-22-35(33)37/h3-6,9-10,13-16,19-22H,7-8,11-12,17-18,23-27H2,1-2H3,(H,42,45)
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126189
PNG
(CHEMBL27884 | {6-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES CCCCOP(=O)(CCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C30H41F3NO4P/c1-3-5-20-37-39(36,38-21-6-4-2)22-14-8-7-13-19-29(28(35)34-23-30(31,32)33)26-17-11-9-15-24(26)25-16-10-12-18-27(25)29/h9-12,15-18H,3-8,13-14,19-23H2,1-2H3,(H,34,35)
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126198
PNG
(CHEMBL282516 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES CC(C)COP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCC(C)C
Show InChI InChI=1S/C28H37F3NO4P/c1-20(2)17-35-37(34,36-18-21(3)4)16-10-9-15-27(26(33)32-19-28(29,30)31)24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h5-8,11-14,20-21H,9-10,15-19H2,1-4H3,(H,32,33)
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126194
PNG
(CHEMBL280971 | {5-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES CCCCOP(=O)(CCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C29H39F3NO4P/c1-3-5-19-36-38(35,37-20-6-4-2)21-13-7-12-18-28(27(34)33-22-29(30,31)32)25-16-10-8-14-23(25)24-15-9-11-17-26(24)28/h8-11,14-17H,3-7,12-13,18-22H2,1-2H3,(H,33,34)
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126211
PNG
(CHEMBL27695 | {4-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP(=O)(OCc2ccncc2)OCc2ccncc2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C32H31F3N3O4P/c33-32(34,35)23-38-30(39)31(28-9-3-1-7-26(28)27-8-2-4-10-29(27)31)15-5-6-20-43(40,41-21-24-11-16-36-17-12-24)42-22-25-13-18-37-19-14-25/h1-4,7-14,16-19H,5-6,15,20-23H2,(H,38,39)
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n/an/a 85n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126220
PNG
(CHEMBL431487 | {4-[9-(2,2,2-Trifluoro-ethylcarbamo...)
Show SMILES CCCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCCC
Show InChI InChI=1S/C26H33F3NO4P/c1-3-16-33-35(32,34-17-4-2)18-10-9-15-25(24(31)30-19-26(27,28)29)22-13-7-5-11-20(22)21-12-6-8-14-23(21)25/h5-8,11-14H,3-4,9-10,15-19H2,1-2H3,(H,30,31)
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126216
PNG
(CHEMBL25846 | [4-(9-Propylcarbamoyl-9H-fluoren-9-y...)
Show SMILES CCCNC(=O)C1(CCCCP(=O)(OCC)OCC)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C25H34NO4P/c1-4-18-26-24(27)25(17-11-12-19-31(28,29-5-2)30-6-3)22-15-9-7-13-20(22)21-14-8-10-16-23(21)25/h7-10,13-16H,4-6,11-12,17-19H2,1-3H3,(H,26,27)
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n/an/a 135n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126217
PNG
(CHEMBL26410 | {4-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES CCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCC
Show InChI InChI=1S/C24H29F3NO4P/c1-3-31-33(30,32-4-2)16-10-9-15-23(22(29)28-17-24(25,26)27)20-13-7-5-11-18(20)19-12-6-8-14-21(19)23/h5-8,11-14H,3-4,9-10,15-17H2,1-2H3,(H,28,29)
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n/an/a 145n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126200
PNG
(9-[3-(4-Benzoylamino-piperidin-1-yl)-propyl]-9H-fl...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCN2CCC(CC2)NC(=O)c2ccccc2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C31H32F3N3O2/c32-31(33,34)21-35-29(39)30(26-13-6-4-11-24(26)25-12-5-7-14-27(25)30)17-8-18-37-19-15-23(16-20-37)36-28(38)22-9-2-1-3-10-22/h1-7,9-14,23H,8,15-21H2,(H,35,39)(H,36,38)
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n/an/a 230n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126187
PNG
(CHEMBL283471 | [4-(9-Benzylcarbamoyl-9H-fluoren-9-...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCc2ccccc2)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C33H42NO4P/c1-3-5-23-37-39(36,38-24-6-4-2)25-15-14-22-33(32(35)34-26-27-16-8-7-9-17-27)30-20-12-10-18-28(30)29-19-11-13-21-31(29)33/h7-13,16-21H,3-6,14-15,22-26H2,1-2H3,(H,34,35)
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n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126214
PNG
(CHEMBL26721 | {4-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES CC(C)OP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OC(C)C
Show InChI InChI=1S/C26H33F3NO4P/c1-18(2)33-35(32,34-19(3)4)16-10-9-15-25(24(31)30-17-26(27,28)29)22-13-7-5-11-20(22)21-12-6-8-14-23(21)25/h5-8,11-14,18-19H,9-10,15-17H2,1-4H3,(H,30,31)
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126203
PNG
(CHEMBL281733 | [4-(9-Butylcarbamoyl-9H-fluoren-9-y...)
Show SMILES CCCCNC(=O)C1(CCCCP(=O)(OCCCC)OCCCC)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C30H44NO4P/c1-4-7-21-31-29(32)30(27-18-12-10-16-25(27)26-17-11-13-19-28(26)30)20-14-15-24-36(33,34-22-8-5-2)35-23-9-6-3/h10-13,16-19H,4-9,14-15,20-24H2,1-3H3,(H,31,32)
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126206
PNG
(9-[4-(Dibutoxy-phosphoryl)-butyl]-9H-fluorene-9-ca...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)OC)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C27H37O5P/c1-4-6-19-31-33(29,32-20-7-5-2)21-13-12-18-27(26(28)30-3)24-16-10-8-14-22(24)23-15-9-11-17-25(23)27/h8-11,14-17H,4-7,12-13,18-21H2,1-3H3
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n/an/a 450n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126224
PNG
((4-{9-[(Pyridin-2-ylmethyl)-carbamoyl]-9H-fluoren-...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCc2ccccn2)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C32H41N2O4P/c1-3-5-22-37-39(36,38-23-6-4-2)24-14-12-20-32(31(35)34-25-26-15-11-13-21-33-26)29-18-9-7-16-27(29)28-17-8-10-19-30(28)32/h7-11,13,15-19,21H,3-6,12,14,20,22-25H2,1-2H3,(H,34,35)
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n/an/a 470n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126197
PNG
(CHEMBL27139 | {4-[9-(2-Morpholin-4-yl-ethylcarbamo...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCCN2CCOCC2)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C32H47N2O5P/c1-3-5-22-38-40(36,39-23-6-4-2)26-12-11-17-32(31(35)33-18-19-34-20-24-37-25-21-34)29-15-9-7-13-27(29)28-14-8-10-16-30(28)32/h7-10,13-16H,3-6,11-12,17-26H2,1-2H3,(H,33,35)
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n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126210
PNG
(CHEMBL25759 | {4-[9-(4-Amino-benzylcarbamoyl)-9H-f...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)NCc2ccc(N)cc2)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C33H43N2O4P/c1-3-5-22-38-40(37,39-23-6-4-2)24-12-11-21-33(32(36)35-25-26-17-19-27(34)20-18-26)30-15-9-7-13-28(30)29-14-8-10-16-31(29)33/h7-10,13-20H,3-6,11-12,21-25,34H2,1-2H3,(H,35,36)
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n/an/a 890n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126204
PNG
(2-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2,3-dih...)
Show SMILES O=C1N(Cc2ccccc12)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H30N2O/c31-28-27-14-8-7-13-24(27)21-30(28)25-15-18-29(19-16-25)20-17-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,25-26H,15-21H2
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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
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126202
PNG
(9-Allyl-9H-fluorene-9-carboxylic acid ethylamide |...)
Show SMILES CCNC(=O)C1(CC=C)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C19H19NO/c1-3-13-19(18(21)20-4-2)16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h3,5-12H,1,4,13H2,2H3,(H,20,21)
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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
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126205
PNG
(CHEMBL26466 | [3-(6-Ethoxy-benzothiazol-2-ylsulfan...)
Show SMILES CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2s1)OCCCC
Show InChI InChI=1S/C20H32NO4PS2/c1-4-7-12-24-26(22,25-13-8-5-2)14-9-15-27-20-21-18-11-10-17(23-6-3)16-19(18)28-20/h10-11,16H,4-9,12-15H2,1-3H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
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
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