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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'harrity' and Initial = 'tw'   
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
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n/an/a 0.0200n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
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n/an/a 0.0300n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
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n/an/a 0.0600n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
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n/an/a 0.150n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098325
PNG
(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
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n/an/a 0.240n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
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
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
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n/an/a 0.800n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098323
PNG
(9-(4-{2-Propyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES CCCc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-2-12-38-53-39-36(52-40(55)33-16-4-3-13-30(33)28-21-23-29(24-22-28)44(48,49)50)19-11-20-37(39)54(38)26-10-9-25-42(41(56)51-27-43(45,46)47)34-17-7-5-14-31(34)32-15-6-8-18-35(32)42/h3-8,11,13-24H,2,9-10,12,25-27H2,1H3,(H,51,56)(H,52,55)
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n/an/a 2n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153193
PNG
(CHEMBL186836 | Trans-9-{4-[5-(2-Benzooxazol-2-yl-b...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)c2ccccc2-c2nc3ccccc3o2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C37H33F3N3O6P/c38-37(39,40)23-41-35(45)36(29-15-5-3-11-25(29)26-12-4-6-16-30(26)36)19-9-10-20-50(46)47-21-24(22-48-50)42-33(44)27-13-1-2-14-28(27)34-43-31-17-7-8-18-32(31)49-34/h1-8,11-18,24H,9-10,19-23H2,(H,41,45)(H,42,44)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM205027
PNG
(US9249096, 40)
Show SMILES OC1=C(CN(Cc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H20Cl2N2O3/c22-17-9-8-14(11-18(17)23)7-4-10-24-20(27)16-13-25(21(28)19(16)26)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,26H,4,7,10,12-13H2,(H,24,27)
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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...

ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
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n/an/a 4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153191
PNG
(9-(4-{1-Oxy-4-[(4''-trifluoromethyl-biphenyl-2-car...)
Show SMILES [O-][N@+]1(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc23)CC[C@@H](CC1)NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F |wU:1.1,wD:29.35,1.0,(-.17,-1.24,;.24,-2.73,;-1.3,-2.85,;-2.17,-1.58,;-3.71,-1.7,;-4.58,-.41,;-6.12,-.53,;-6.69,.9,;-8.22,1.11,;-5.75,2.12,;-6.34,3.52,;-5.41,4.76,;-4.17,3.83,;-6.63,5.69,;-4.46,5.96,;-5.34,-1.87,;-3.86,-2.2,;-3.38,-3.66,;-4.39,-4.78,;-5.91,-4.44,;-6.34,-2.98,;-7.75,-2.37,;-9.15,-2.99,;-10.39,-2.1,;-10.25,-.6,;-8.87,.04,;-7.61,-.86,;.91,-1.34,;2.44,-1.22,;3.32,-2.49,;2.63,-3.9,;1.11,-4.02,;4.85,-2.39,;5.53,-.99,;7.07,-.89,;4.65,.28,;3.12,.16,;2.25,1.45,;2.91,2.85,;4.46,2.95,;5.33,1.69,;6.87,1.8,;7.74,.52,;9.26,.64,;9.92,2.03,;9.06,3.31,;7.52,3.19,;11.48,2.15,;11.6,.59,;11.36,3.69,;13.03,2.26,)|
Show InChI InChI=1S/C39H37F6N3O3/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48(51)23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)/t28-,48+
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098325
PNG
(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
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n/an/a 5n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM50458638
PNG
(CHEMBL4203395)
Show SMILES OC1=C(CN(CCOc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H22Cl2N2O4/c23-18-9-8-15(13-19(18)24)5-4-10-25-21(28)17-14-26(22(29)20(17)27)11-12-30-16-6-2-1-3-7-16/h1-3,6-9,13,27H,4-5,10-12,14H2,(H,25,28)
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...

ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153189
PNG
(CHEMBL365687 | Cis-9-(4-{2-Oxo-5-[(4''-trifluorome...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C37H33F6N2O5P/c38-36(39,40)23-44-34(47)35(31-13-5-3-10-28(31)29-11-4-6-14-32(29)35)19-7-8-20-51(48)49-21-26(22-50-51)45-33(46)30-12-2-1-9-27(30)24-15-17-25(18-16-24)37(41,42)43/h1-6,9-18,26H,7-8,19-23H2,(H,44,47)(H,45,46)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153189
PNG
(CHEMBL365687 | Cis-9-(4-{2-Oxo-5-[(4''-trifluorome...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C37H33F6N2O5P/c38-36(39,40)23-44-34(47)35(31-13-5-3-10-28(31)29-11-4-6-14-32(29)35)19-7-8-20-51(48)49-21-26(22-50-51)45-33(46)30-12-2-1-9-27(30)24-15-17-25(18-16-24)37(41,42)43/h1-6,9-18,26H,7-8,19-23H2,(H,44,47)(H,45,46)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
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n/an/a 8n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein using triglyceride transfer assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153188
PNG
(CHEMBL360146 | Trans-1-Phenyl-piperidine-2-carboxy...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)C2CCCCN2c2ccccc2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C35H39F3N3O5P/c36-35(37,38)24-39-33(43)34(29-16-6-4-14-27(29)28-15-5-7-17-30(28)34)19-9-11-21-47(44)45-22-25(23-46-47)40-32(42)31-18-8-10-20-41(31)26-12-2-1-3-13-26/h1-7,12-17,25,31H,8-11,18-24H2,(H,39,43)(H,40,42)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153195
PNG
(CHEMBL186494 | Trans-9-{4-[5-(2-Benzothiazol-2-yl-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)c2ccccc2-c2nc3ccccc3s2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C37H33F3N3O5PS/c38-37(39,40)23-41-35(45)36(29-15-5-3-11-25(29)26-12-4-6-16-30(26)36)19-9-10-20-49(46)47-21-24(22-48-49)42-33(44)27-13-1-2-14-28(27)34-43-31-17-7-8-18-32(31)50-34/h1-8,11-18,24H,9-10,19-23H2,(H,41,45)(H,42,44)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098327
PNG
(9-(3-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C40H30F6N4O2/c41-39(42,43)23-47-37(52)38(31-13-5-3-10-28(31)29-11-4-6-14-32(29)38)21-8-22-50-24-48-35-33(15-7-16-34(35)50)49-36(51)30-12-2-1-9-27(30)25-17-19-26(20-18-25)40(44,45)46/h1-7,9-20,24H,8,21-23H2,(H,47,52)(H,49,51)
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n/an/a 10n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM50458637
PNG
(CHEMBL4210998)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O |t:19|
Show InChI InChI=1S/C17H21Cl2N3O2/c1-3-22-10-12(15(20-2)17(22)24)16(23)21-8-4-5-11-6-7-13(18)14(19)9-11/h6-7,9,20H,3-5,8,10H2,1-2H3,(H,21,23)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...

ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153190
PNG
(CHEMBL185866 | Trans-9-[4-(5-Benzoylamino-2-oxo-2l...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)c2ccccc2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C30H30F3N2O5P/c31-30(32,33)20-34-28(37)29(25-14-6-4-12-23(25)24-13-5-7-15-26(24)29)16-8-9-17-41(38)39-18-22(19-40-41)35-27(36)21-10-2-1-3-11-21/h1-7,10-15,22H,8-9,16-20H2,(H,34,37)(H,35,36)
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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
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153196
PNG
(CHEMBL187076 | Trans-9-{4-[5-(2-Morpholin-4-yl-ben...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)c2ccccc2N2CCOCC2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C34H37F3N3O6P/c35-34(36,37)23-38-32(42)33(28-12-4-1-9-25(28)26-10-2-5-13-29(26)33)15-7-8-20-47(43)45-21-24(22-46-47)39-31(41)27-11-3-6-14-30(27)40-16-18-44-19-17-40/h1-6,9-14,24H,7-8,15-23H2,(H,38,42)(H,39,41)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50153194
PNG
(CHEMBL187696 | Cis-(2-Oxo-2-{4-[9-(2,2,2-trifluoro...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCP2(=O)OCC(CO2)NC(=O)OCc2ccccc2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C31H32F3N2O6P/c32-31(33,34)21-35-28(37)30(26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)16-8-9-17-43(39)41-19-23(20-42-43)36-29(38)40-18-22-10-2-1-3-11-22/h1-7,10-15,23H,8-9,16-21H2,(H,35,37)(H,36,38)
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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
In vitro inhibitory concentration against human Microsomal triglyceride transfer protein

Bioorg Med Chem Lett 14: 5067-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.069
BindingDB Entry DOI: 10.7270/Q2H70F93
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)		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
Hepatic triacylglycerol lipase


(Homo sapiens (Human))		BDBM50458647
PNG
(CHEMBL4212095)
Show SMILES Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
Show InChI InChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followed by substrate a...

ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
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