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Patent code US8703761

Compile Data Set for Download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120757
PNG
(US8703761, 1-29)
Show SMILES CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C26H24N4O2S/c1-26(2,30-23(31)20-15-9-10-16-27-20)24(32)29-25-28-22(19-13-7-4-8-14-19)21(33-25)17-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3,(H,30,31)(H,28,29,32)
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n/an/a 3.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120755
PNG
(US8703761, 1-8)
Show SMILES COc1ccccc1C(=O)NC(C)(C)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C28H27N3O3S/c1-28(2,31-25(32)21-16-10-11-17-22(21)34-3)26(33)30-27-29-24(20-14-8-5-9-15-20)23(35-27)18-19-12-6-4-7-13-19/h4-17H,18H2,1-3H3,(H,31,32)(H,29,30,33)
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n/an/a 8.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120756
PNG
(US8703761, 1-28)
Show SMILES CC(C)(NC(=O)c1ccc2occc2c1)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C29H25N3O3S/c1-29(2,32-26(33)22-13-14-23-21(18-22)15-16-35-23)27(34)31-28-30-25(20-11-7-4-8-12-20)24(36-28)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,32,33)(H,30,31,34)
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n/an/a 11n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120759
PNG
(US8703761, 8-1)
Show SMILES O=C(CC1CCCC1)N1CCC[C@H]1C(=O)Nc1cc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C27H29N3O2/c31-26(17-19-9-4-5-10-19)30-16-8-15-24(30)27(32)29-25-18-22(20-11-2-1-3-12-20)21-13-6-7-14-23(21)28-25/h1-3,6-7,11-14,18-19,24H,4-5,8-10,15-17H2,(H,28,29,32)/t24-/m0/s1
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n/an/a 54.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120753
PNG
(US8703761, 1-1)
Show SMILES CCOc1ccc(cc1OCC)C(=O)NC(C)(C)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O4S/c1-5-37-24-18-17-23(20-25(24)38-6-2)28(35)34-31(3,4)29(36)33-30-32-27(22-15-11-8-12-16-22)26(39-30)19-21-13-9-7-10-14-21/h7-18,20H,5-6,19H2,1-4H3,(H,34,35)(H,32,33,36)
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n/an/a 60.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120758
PNG
(US8703761, 6-14)
Show SMILES CC(C)(NC(=O)c1cncs1)C(=O)Nc1nc(c(Oc2ccc(F)cc2)s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H18F2N4O3S2/c1-23(2,29-19(30)17-11-26-12-33-17)21(31)28-22-27-18(13-3-5-14(24)6-4-13)20(34-22)32-16-9-7-15(25)8-10-16/h3-12H,1-2H3,(H,29,30)(H,27,28,31)
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n/an/a 197n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120763
PNG
(US8703761, 14-4)
Show SMILES CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C25H23FN6O2/c1-25(2,30-22(33)20-10-6-7-15-27-20)23(34)29-24-28-21(18-11-13-19(26)14-12-18)32(31-24)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,30,33)(H,29,31,34)
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n/an/a 225n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120760
PNG
(US8703761, 8-2)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nc(c1)-c1ccccc1
Show InChI InChI=1S/C28H31N3O3/c1-19-12-14-20(15-13-19)22-17-23(21-9-6-5-7-10-21)29-25(18-22)30-26(32)24-11-8-16-31(24)27(33)34-28(2,3)4/h5-7,9-10,12-15,17-18,24H,8,11,16H2,1-4H3,(H,29,30,32)/t24-/m0/s1
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n/an/a 240n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120754
PNG
(US8703761, 1-6)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C26H24FN3O3S2/c1-26(2,30-35(32,33)21-15-13-20(27)14-16-21)24(31)29-25-28-23(19-11-7-4-8-12-19)22(34-25)17-18-9-5-3-6-10-18/h3-16,30H,17H2,1-2H3,(H,28,29,31)
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n/an/a 241n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120767
PNG
(US8703761, 6-1)
Show SMILES CC(C)(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc(c(Oc2ccc(F)cc2)s1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20F5N3O4S/c1-26(2,35-22(36)16-5-11-20(12-6-16)39-27(30,31)32)24(37)34-25-33-21(15-3-7-17(28)8-4-15)23(40-25)38-19-13-9-18(29)10-14-19/h3-14H,1-2H3,(H,35,36)(H,33,34,37)
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n/an/a 910n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120761
PNG
(US8703761, 12-3)
Show SMILES CC(C)(NC(=O)C1(C)CC1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N3O3S/c1-18(2,27-16(30)19(3)8-9-19)15(29)26-17-25-14(20(22,23)24)13(31-17)12(28)10-4-6-11(21)7-5-10/h4-7H,8-9H2,1-3H3,(H,27,30)(H,25,26,29)
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n/an/a 1.18E+3n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120765
PNG
(US8703761, 14-24)
Show SMILES CC(C)(NC(=O)c1cnco1)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C23H21FN6O3/c1-23(2,28-20(31)18-12-25-14-33-18)21(32)27-22-26-19(16-8-10-17(24)11-9-16)30(29-22)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,28,31)(H,27,29,32)
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n/an/a 1.75E+3n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120762
PNG
(US8703761, 12-4)
Show SMILES CC(C)(NC(=O)N1CCCOCC1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N4O4S/c1-20(2,28-19(32)29-8-3-10-33-11-9-29)17(31)27-18-26-16(21(23,24)25)15(34-18)14(30)12-4-6-13(22)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,28,32)(H,26,27,31)
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n/an/a 2.08E+3n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120764
PNG
(US8703761, 14-3)
Show SMILES CN1CCC[C@H]1C(=O)NC(C)(C)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C25H29FN6O2/c1-25(2,29-22(33)20-10-7-15-31(20)3)23(34)28-24-27-21(18-11-13-19(26)14-12-18)32(30-24)16-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,29,33)(H,28,30,34)/t20-/m0/s1
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n/an/a 2.30E+3n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120766
PNG
(US8703761, 14-28)
Show SMILES Cc1cc(no1)C(=O)NC(C)(C)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C24H23FN6O3/c1-15-13-19(30-34-15)21(32)28-24(2,3)22(33)27-23-26-20(17-9-11-18(25)12-10-17)31(29-23)14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,28,32)(H,27,29,33)
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n/an/a 6.13E+3n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%