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Compile Data Set for Download or QSAR

Found 2158 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1'   
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


(Homo sapiens (Human))
BDBM220398
PNG
(US9296708, 4, ARM-P4)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H42N8O15/c38-26(39)7-6-24(28(42)43)32-29(44)31-23(27(40)41)3-1-2-9-35-18-20(33-34-35)19-52-16-15-51-14-13-50-12-11-49-10-8-30-22-5-4-21(36(45)46)17-25(22)37(47)48/h4-5,17-18,23-24,30H,1-3,6-16,19H2,(H,38,39)(H,40,41)(H,42,43)(H2,31,32,44)/t23-,24-/m0/s1
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0.0200n/a 0.460n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220397
PNG
(US9296708, 3, ARM-P2)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H34N8O13/c34-22(35)7-6-20(24(38)39)28-25(40)27-19(23(36)37)3-1-2-9-31-14-16(29-30-31)15-46-12-11-45-10-8-26-18-5-4-17(32(41)42)13-21(18)33(43)44/h4-5,13-14,19-20,26H,1-3,6-12,15H2,(H,34,35)(H,36,37)(H,38,39)(H2,27,28,40)/t19-,20-/m0/s1
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0.0240n/a 0.540n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220396
PNG
(US9296708, 2, ARM-P1)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H30N8O12/c32-20(33)7-6-18(22(36)37)26-23(38)25-17(21(34)35)3-1-2-9-29-12-14(27-28-29)13-43-10-8-24-16-5-4-15(30(39)40)11-19(16)31(41)42/h4-5,11-12,17-18,24H,1-3,6-10,13H2,(H,32,33)(H,34,35)(H,36,37)(H2,25,26,38)/t17-,18-/m0/s1
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0.0470n/a 1.05n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220408
PNG
(US9296708, 14)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccc(cc2)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H35N7O11/c33-22(34)9-8-21(24(37)38)28-25(39)27-20(23(35)36)3-1-2-11-31-15-18(29-30-31)16-43-14-13-42-12-10-26-17-4-6-19(7-5-17)32(40)41/h4-7,15,20-21,26H,1-3,8-14,16H2,(H,33,34)(H,35,36)(H,37,38)(H2,27,28,39)/t20-,21-/m0/s1
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0.0600n/a 1.36n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220395
PNG
(US9296708, 1, ARM-P0)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(CNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H26N8O11/c30-18(31)7-6-16(20(34)35)24-21(36)23-15(19(32)33)3-1-2-8-27-11-12(25-26-27)10-22-14-5-4-13(28(37)38)9-17(14)29(39)40/h4-5,9,11,15-16,22H,1-3,6-8,10H2,(H,30,31)(H,32,33)(H,34,35)(H2,23,24,36)/t15-,16-/m0/s1
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0.0780n/a 1.76n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220407
PNG
(US9296708, 13)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccccc2[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H35N7O11/c33-22(34)9-8-20(24(37)38)28-25(39)27-19(23(35)36)6-3-4-11-31-15-17(29-30-31)16-43-14-13-42-12-10-26-18-5-1-2-7-21(18)32(40)41/h1-2,5,7,15,19-20,26H,3-4,6,8-14,16H2,(H,33,34)(H,35,36)(H,37,38)(H2,27,28,39)/t19-,20-/m0/s1
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0.0780n/a 1.78n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220399
PNG
(US9296708, 5, ARM-P6)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C33H50N8O17/c42-30(43)7-6-28(32(46)47)36-33(48)35-27(31(44)45)3-1-2-9-39-22-24(37-38-39)23-58-20-19-57-18-17-56-16-15-55-14-13-54-12-11-53-10-8-34-26-5-4-25(40(49)50)21-29(26)41(51)52/h4-5,21-22,27-28,34H,1-3,6-20,23H2,(H,42,43)(H,44,45)(H,46,47)(H2,35,36,48)/t27-,28-/m0/s1
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0.101n/a 2.29n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220400
PNG
(US9296708, 6, ARM-P8)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C37H58N8O19/c46-34(47)7-6-32(36(50)51)40-37(52)39-31(35(48)49)3-1-2-9-43-26-28(41-42-43)27-64-24-23-63-22-21-62-20-19-61-18-17-60-16-15-59-14-13-58-12-11-57-10-8-38-30-5-4-29(44(53)54)25-33(30)45(55)56/h4-5,25-26,31-32,38H,1-3,6-24,27H2,(H,46,47)(H,48,49)(H,50,51)(H2,39,40,52)/t31-,32-/m0/s1
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0.145n/a 3.29n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220409
PNG
(US9296708, 15)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccccc2)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H36N6O9/c32-22(33)10-9-21(24(36)37)28-25(38)27-20(23(34)35)8-4-5-12-31-16-19(29-30-31)17-40-15-14-39-13-11-26-18-6-2-1-3-7-18/h1-3,6-7,16,20-21,26H,4-5,8-15,17H2,(H,32,33)(H,34,35)(H,36,37)(H2,27,28,38)/t20-,21-/m0/s1
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0.730n/a 16.6n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220410
PNG
(US9296708, 16)
Show SMILES COc1ccc(NCCOCCOCc2cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn2)cc1
Show InChI InChI=1S/C26H38N6O10/c1-40-20-7-5-18(6-8-20)27-11-13-41-14-15-42-17-19-16-32(31-30-19)12-3-2-4-21(24(35)36)28-26(39)29-22(25(37)38)9-10-23(33)34/h5-8,16,21-22,27H,2-4,9-15,17H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H2,28,29,39)/t21-,22-/m0/s1
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0.970n/a 21.9n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220404
PNG
(US9296708, 10, MeO-P4)
Show SMILES COCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C24H41N5O12/c1-37-8-9-38-10-11-39-12-13-40-14-15-41-17-18-16-29(28-27-18)7-3-2-4-19(22(32)33)25-24(36)26-20(23(34)35)5-6-21(30)31/h16,19-20H,2-15,17H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H2,25,26,36)/t19-,20-/m0/s1
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1.34n/a 30.2n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220402
PNG
(US9296708, 8, MeO-P0)
Show SMILES COCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C16H25N5O8/c1-29-9-10-8-21(20-19-10)7-3-2-4-11(14(24)25)17-16(28)18-12(15(26)27)5-6-13(22)23/h8,11-12H,2-7,9H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H2,17,18,28)/t11-,12-/m0/s1
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1.35n/a 30.5n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220401
PNG
(US9296708, 7, ARM-P12)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C45H74N8O23/c54-42(55)7-6-40(44(58)59)48-45(60)47-39(43(56)57)3-1-2-9-51-34-36(49-50-51)35-76-32-31-75-30-29-74-28-27-73-26-25-72-24-23-71-22-21-70-20-19-69-18-17-68-16-15-67-14-13-66-12-11-65-10-8-46-38-5-4-37(52(61)62)33-41(38)53(63)64/h4-5,33-34,39-40,46H,1-3,6-32,35H2,(H,54,55)(H,56,57)(H,58,59)(H2,47,48,60)/t39-,40-/m0/s1
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1.65n/a 37.3n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220403
PNG
(US9296708, 9, MeO-P2)
Show SMILES COCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C20H33N5O10/c1-33-8-9-34-10-11-35-13-14-12-25(24-23-14)7-3-2-4-15(18(28)29)21-20(32)22-16(19(30)31)5-6-17(26)27/h12,15-16H,2-11,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,21,22,32)/t15-,16-/m0/s1
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1.81n/a 40.8n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220405
PNG
(US9296708, 11, MeO-P8)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C32H57N5O16/c1-45-8-9-46-10-11-47-12-13-48-14-15-49-16-17-50-18-19-51-20-21-52-22-23-53-25-26-24-37(36-35-26)7-3-2-4-27(30(40)41)33-32(44)34-28(31(42)43)5-6-29(38)39/h24,27-28H,2-23,25H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H2,33,34,44)/t27-,28-/m0/s1
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5.79n/a 131n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220406
PNG
(US9296708, 12, MeO-P12)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C40H73N5O20/c1-53-8-9-54-10-11-55-12-13-56-14-15-57-16-17-58-18-19-59-20-21-60-22-23-61-24-25-62-26-27-63-28-29-64-30-31-65-33-34-32-45(44-43-34)7-3-2-4-35(38(48)49)41-40(52)42-36(39(50)51)5-6-37(46)47/h32,35-36H,2-31,33H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H2,41,42,52)/t35-,36-/m0/s1
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7.30n/a 165n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220411
PNG
(US9296708, 17)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNC2CCCCC2)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H42N6O9/c32-22(33)10-9-21(24(36)37)28-25(38)27-20(23(34)35)8-4-5-12-31-16-19(29-30-31)17-40-15-14-39-13-11-26-18-6-2-1-3-7-18/h16,18,20-21,26H,1-15,17H2,(H,32,33)(H,34,35)(H,36,37)(H2,27,28,38)/t20-,21-/m0/s1
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15.1n/a 342n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM321150
PNG
(US10174049, Example 17 | US9738658, Example 17 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM321150
PNG
(US10174049, Example 17 | US9738658, Example 17 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM411440
PNG
(US10385066, Example 17)
Show SMILES COc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H19N5O3/c1-29-18-5-3-2-4-17(18)27-9-8-14-12-15(6-7-16(14)27)26-10-11-30-21-19(22(26)28)20(23)24-13-25-21/h2-9,12-13H,10-11H2,1H3,(H2,23,24,25)
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GlaxoSmithKline LLC

US Patent


Assay Description
LE assay: For inhibition of triacylglycerol product formation, 11 uL, reactions were nm in white Polyplate-384 (PerkinElmer6007300) starting with a 3...


US Patent US10385066 (2019)


BindingDB Entry DOI: 10.7270/Q2WD42X8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM321150
PNG
(US10174049, Example 17 | US9738658, Example 17 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM411430
PNG
(US10385066, Example 2)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1ccc2cc(ccc12)N1CCOc2ncnc(Cl)c2C1=O
Show InChI InChI=1S/C22H14ClF3N4O3/c23-19-18-20(28-12-27-19)32-9-8-30(21(18)31)15-4-5-17-13(10-15)6-7-29(17)14-2-1-3-16(11-14)33-22(24,25)26/h1-7,10-12H,8-9H2
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GlaxoSmithKline LLC

US Patent


Assay Description
LE assay: For inhibition of triacylglycerol product formation, 11 uL, reactions were nm in white Polyplate-384 (PerkinElmer6007300) starting with a 3...


US Patent US10385066 (2019)


BindingDB Entry DOI: 10.7270/Q2WD42X8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Rattus norvegicus (rat))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of rat DGAT1


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM351918
PNG
(4-Amino-6-(1-(3-(trifluoromethoxy)phenyl)-1H-indol...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12
Show InChI InChI=1S/C22H16F3N5O3/c23-22(24,25)33-16-3-1-2-14(11-16)29-7-6-13-10-15(4-5-17(13)29)30-8-9-32-20-18(21(30)31)19(26)27-12-28-20/h1-7,10-12H,8-9H2,(H2,26,27,28)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM336120
PNG
(US9738658, Example 2)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12
Show InChI InChI=1S/C21H15F3N6O3/c22-21(23,24)33-15-3-1-2-13(9-15)29-5-4-12-8-14(10-26-18(12)29)30-6-7-32-19-16(20(30)31)17(25)27-11-28-19/h1-5,8-11H,6-7H2,(H2,25,27,28)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM321135
PNG
(US10174049, Example 2)
Show SMILES COc1cccc(c1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H19N5O3/c1-29-17-4-2-3-15(12-17)26-8-7-14-11-16(5-6-18(14)26)27-9-10-30-21-19(22(27)28)20(23)24-13-25-21/h2-8,11-13H,9-10H2,1H3,(H2,23,24,25)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220924
PNG
(US9302996, 39)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(cc1)-c1ncc([nH]1)C1(CC1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O3/c1-14-10-19(33-13-22(2,3)21(31)32)28-11-17(14)15-4-6-16(7-5-15)20-29-12-18(30-20)23(8-9-23)24(25,26)27/h4-7,10-12H,8-9,13H2,1-3H3,(H,29,30)(H,31,32)
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220966
PNG
(US9302996, 114 | US9302996, 81)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C21H21F3N4O3/c1-11-6-16(31-10-20(3,4)19(29)30)25-8-14(11)13-5-12(2)17(26-7-13)18-27-9-15(28-18)21(22,23)24/h5-9H,10H2,1-4H3,(H,27,28)(H,29,30)
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50523583
PNG
(CHEMBL4585408)
Show SMILES CC(C)(COc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C22H19ClN4O3/c1-22(2,21(28)29)12-30-19-8-4-13(10-25-19)16-6-3-14(11-24-16)20-26-17-7-5-15(23)9-18(17)27-20/h3-11H,12H2,1-2H3,(H,26,27)(H,28,29)
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Merck & Co. Inc

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 29: 1380-1385 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.039
BindingDB Entry DOI: 10.7270/Q2348PSJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220983
PNG
(US9302996, 98-3)
Show SMILES Cc1cc(OCC2(CCC2)C(O)=O)ncc1-c1ccc(-c2nc(c[nH]2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H19F4N3O3/c1-12-7-18(32-11-21(20(30)31)5-2-6-21)27-9-15(12)13-3-4-14(16(23)8-13)19-28-10-17(29-19)22(24,25)26/h3-4,7-10H,2,5-6,11H2,1H3,(H,28,29)(H,30,31)
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220908
PNG
(US9302996, 23)
Show SMILES CCC(CC)(COc1ccc(cn1)-c1ccc(nc1)-c1ncc([nH]1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F3N4O3/c1-3-20(4-2,19(29)30)12-31-17-8-6-14(10-26-17)13-5-7-15(25-9-13)18-27-11-16(28-18)21(22,23)24/h5-11H,3-4,12H2,1-2H3,(H,27,28)(H,29,30)
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395359
PNG
(US10308636, Example 44-6)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(cn2)-c2nc(c[nH]2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C22H20ClF3N4O3/c23-19-15(21(31)32)2-1-3-16(19)33-12-13-6-8-30(9-7-13)18-5-4-14(10-27-18)20-28-11-17(29-20)22(24,25)26/h1-5,10-11,13H,6-9,12H2,(H,28,29)(H,31,32)
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220962
PNG
(US9302996, 77)
Show SMILES Cc1cc(ccc1-c1ncc([nH]1)C(F)(F)F)-c1cnc(OCC(C)(C)C(O)=O)cc1C
Show InChI InChI=1S/C22H22F3N3O3/c1-12-7-14(5-6-15(12)19-27-10-17(28-19)22(23,24)25)16-9-26-18(8-13(16)2)31-11-21(3,4)20(29)30/h5-10H,11H2,1-4H3,(H,27,28)(H,29,30)
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n/an/a 0.780n/an/an/an/a7.430



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220986
PNG
(US9302996, 101-3)
Show SMILES Cc1cc(OCC2(CCC2)C(O)=O)ncc1-c1ccc(-c2nc(c[nH]2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C22H19ClF3N3O3/c1-12-7-18(32-11-21(20(30)31)5-2-6-21)27-9-15(12)13-3-4-14(16(23)8-13)19-28-10-17(29-19)22(24,25)26/h3-4,7-10H,2,5-6,11H2,1H3,(H,28,29)(H,30,31)
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n/an/a 0.820n/an/an/an/a7.430



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220975
PNG
(US9302996, 90)
Show SMILES CC(C)(COc1ncc(cc1F)-c1ccc(cc1)-c1ncc([nH]1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H17F4N3O3/c1-19(2,18(28)29)10-30-17-14(21)7-13(8-26-17)11-3-5-12(6-4-11)16-25-9-15(27-16)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 0.870n/an/an/an/a7.430



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395327
PNG
(US10308636, Example 4-15)
Show SMILES CCC(CC)(COc1cnc(cn1)-c1ccc(nc1)-c1ncc([nH]1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H25N5O3/c1-3-25(4-2,24(31)32)16-33-22-15-27-20(13-28-22)18-10-11-19(26-12-18)23-29-14-21(30-23)17-8-6-5-7-9-17/h5-15H,3-4,16H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a 0.940n/an/an/an/an/an/a



Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220947
PNG
(US9302996, 62-3)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(-c2nc(c[nH]2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H19F4N3O3/c1-11-6-17(31-10-20(2,3)19(29)30)26-8-14(11)12-4-5-13(15(22)7-12)18-27-9-16(28-18)21(23,24)25/h4-9H,10H2,1-3H3,(H,27,28)(H,29,30)
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n/an/a 0.960n/an/an/an/a7.430



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50437388
PNG
(CHEMBL3037924)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:7.10,wD:4.3,(31.44,-46.33,;32.2,-44.99,;33.75,-45,;31.43,-43.66,;29.89,-43.65,;29.12,-42.32,;27.58,-42.32,;26.82,-43.65,;27.59,-44.99,;29.12,-44.99,;25.28,-43.66,;24.51,-45,;22.97,-45,;22.2,-43.66,;22.97,-42.33,;24.5,-42.32,;20.67,-43.66,;19.89,-42.32,;18.36,-42.33,;17.59,-43.66,;18.36,-44.99,;19.9,-45,;16.05,-43.66,;15.15,-44.91,;13.68,-44.43,;12.35,-45.19,;11.02,-44.43,;11.02,-42.89,;9.69,-42.12,;12.35,-42.11,;13.68,-42.89,;15.15,-42.41,)|
Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17-
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


ACS Med Chem Lett 4: 773-8 (2013)


Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM221020
PNG
(US9302996, 135)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C21H18ClF5N4O3/c1-10-4-15(34-9-19(2,3)18(32)33)28-7-12(10)11-5-13(22)16(29-6-11)17-30-8-14(31-17)20(23,24)21(25,26)27/h4-8H,9H2,1-3H3,(H,30,31)(H,32,33)
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50287311
PNG
(CHEMBL4176968)
Show SMILES CC[C@@]1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C28H25F3N2O4/c1-2-27(16-24(34)35)13-12-19-14-18(8-11-23(19)25(27)36)17-6-9-21(10-7-17)32-26(37)33-22-5-3-4-20(15-22)28(29,30)31/h3-11,14-15H,2,12-13,16H2,1H3,(H,34,35)(H2,32,33,37)/t27-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA ...


ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM209558
PNG
(US9271969, 46)
Show SMILES CC(C)(C)c1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1 |r,wU:26.28,wD:29.32,(-13.15,-4,;-11.61,-4,;-10.84,-5.33,;-10.07,-4,;-10.84,-2.67,;-11.61,-1.33,;-10.84,,;-9.3,,;-8.53,1.33,;-6.99,1.33,;-6.22,2.67,;-6.99,4,;-4.68,2.67,;-3.77,1.42,;-2.31,1.9,;-.85,1.42,;.06,2.67,;-.85,3.91,;-2.31,3.44,;-3.77,3.91,;1.6,2.67,;2.37,1.33,;3.91,1.33,;4.68,2.67,;3.91,4,;2.37,4,;6.22,2.67,;6.99,4,;8.53,4,;9.3,2.67,;10.84,2.67,;11.61,4,;13.15,4,;10.84,5.33,;8.53,1.33,;6.99,1.33,;-8.53,-1.33,;-9.3,-2.67,)|
Show InChI InChI=1S/C31H35N3O3S/c1-31(2,3)25-14-6-21(7-15-25)17-32-29(37)26-18-34-19-27(38-30(34)33-26)24-12-10-23(11-13-24)22-8-4-20(5-9-22)16-28(35)36/h6-7,10-15,18-20,22H,4-5,8-9,16-17H2,1-3H3,(H,32,37)(H,35,36)/t20-,22-
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM209552
PNG
(US9271969, 40)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)c(F)c(F)c1 |r,wD:4.3,(12.75,-5.08,;11.42,-4.31,;11.42,-2.77,;10.09,-5.08,;8.75,-4.31,;8.75,-2.77,;7.42,-2,;6.09,-2.77,;6.09,-4.31,;7.42,-5.08,;4.75,-2,;3.42,-2.77,;2.09,-2,;2.09,-.46,;3.42,.31,;4.75,-.46,;.75,.31,;.75,1.85,;-.58,2.62,;-1.92,1.85,;-3.38,2.33,;-4.29,1.08,;-3.38,-.17,;-1.92,.31,;-.58,-.46,;-5.83,1.08,;-6.59,-.25,;-6.59,2.41,;-8.14,2.41,;-8.91,3.75,;-10.45,3.75,;-11.22,5.08,;-11.22,2.41,;-12.75,2.41,;-10.45,1.08,;-11.22,-.25,;-8.91,1.08,)|
Show InChI InChI=1S/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36)/t16-,17?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM209544
PNG
(US9271969, 32)
Show SMILES Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:28.32,(-8.9,5.08,;-9.67,3.75,;-11.21,3.75,;-11.98,2.41,;-11.21,1.08,;-9.67,1.08,;-8.9,2.41,;-7.36,2.41,;-6.59,1.08,;-7.36,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.98,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)|
Show InChI InChI=1S/C29H29N3O3/c1-19-4-2-3-5-25(19)31-29(35)26-18-32-17-24(14-15-27(32)30-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-28(33)34/h2-5,10-15,17-18,20-21H,6-9,16H2,1H3,(H,31,35)(H,33,34)/t20-,21?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209551
PNG
(US9271969, 39)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)ccc1F |r,wD:4.3,(11.99,-5.08,;10.65,-4.31,;10.65,-2.77,;9.32,-5.08,;7.98,-4.31,;7.98,-2.77,;6.65,-2,;5.32,-2.77,;5.32,-4.31,;6.65,-5.08,;3.98,-2,;2.65,-2.77,;1.32,-2,;1.32,-.46,;2.65,.31,;3.98,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-6.6,1.08,;-7.37,-.25,;-7.37,2.41,;-8.91,2.41,;-9.68,1.08,;-11.22,1.08,;-11.99,-.25,;-11.99,2.41,;-11.22,3.75,;-9.68,3.75,;-8.91,5.08,)|
Show InChI InChI=1S/C28H25F2N3O3/c29-22-10-11-23(30)24(14-22)32-28(36)25-16-33-15-21(9-12-26(33)31-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,32,36)(H,34,35)/t17-,18?
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n/an/a<1n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209550
PNG
(US9271969, 38)
Show SMILES Cc1cccc(C)c1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:29.33,(-8.91,-.25,;-9.68,1.08,;-11.22,1.08,;-11.99,2.41,;-11.22,3.75,;-9.68,3.75,;-8.91,5.08,;-8.91,2.41,;-7.37,2.41,;-6.6,1.08,;-7.37,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.99,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)|
Show InChI InChI=1S/C30H31N3O3/c1-19-4-3-5-20(2)29(19)32-30(36)26-18-33-17-25(14-15-27(33)31-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-28(34)35/h3-5,10-15,17-18,21-22H,6-9,16H2,1-2H3,(H,32,36)(H,34,35)/t21-,22?
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n/an/a<1n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209544
PNG
(US9271969, 32)
Show SMILES Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:28.32,(-8.9,5.08,;-9.67,3.75,;-11.21,3.75,;-11.98,2.41,;-11.21,1.08,;-9.67,1.08,;-8.9,2.41,;-7.36,2.41,;-6.59,1.08,;-7.36,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.98,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)|
Show InChI InChI=1S/C29H29N3O3/c1-19-4-2-3-5-25(19)31-29(35)26-18-32-17-24(14-15-27(32)30-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-28(33)34/h2-5,10-15,17-18,20-21H,6-9,16H2,1H3,(H,31,35)(H,33,34)/t20-,21?
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n/an/a<1n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209531
PNG
(US9271969, 19)
Show SMILES CC(C)c1ccc(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:29.32,(-10.45,7.08,;-11.22,5.75,;-12.76,5.75,;-10.45,4.41,;-8.91,4.41,;-8.14,3.08,;-8.91,1.75,;-8.14,.41,;-6.6,.41,;-5.83,-.92,;-6.6,-2.25,;-4.28,-.92,;-3.38,-2.17,;-1.92,-1.69,;-.58,-2.46,;.75,-1.69,;.75,-.15,;-.58,.62,;-1.92,-.15,;-3.38,.32,;2.09,-2.46,;2.09,-4,;3.42,-4.77,;4.75,-4,;4.75,-2.46,;3.42,-1.69,;6.09,-4.77,;7.42,-4,;8.75,-4.77,;8.75,-6.31,;10.09,-7.08,;11.42,-6.31,;12.76,-7.08,;11.42,-4.77,;7.42,-7.08,;6.09,-6.31,;-10.45,1.75,;-11.22,3.08,)|
Show InChI InChI=1S/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37)/t22-,25?
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n/an/a<1n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209526
PNG
(US9271969, 14)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCOc2c1 |r,wD:4.3,(12.82,-6.32,;11.49,-5.55,;11.49,-4.01,;10.15,-6.32,;8.82,-5.55,;8.82,-4.01,;7.48,-3.24,;6.15,-4.01,;6.15,-5.55,;7.48,-6.32,;4.82,-3.24,;3.48,-4.01,;2.15,-3.24,;2.15,-1.7,;3.48,-.93,;4.82,-1.7,;.82,-.93,;.82,.61,;-.52,1.38,;-1.85,.61,;-3.32,1.09,;-4.22,-.16,;-3.32,-1.41,;-1.85,-.93,;-.52,-1.7,;-5.76,-.16,;-6.53,-1.49,;-6.53,1.17,;-8.07,1.17,;-8.84,2.51,;-8.07,3.84,;-8.84,5.18,;-10.38,5.18,;-11.41,6.32,;-12.82,5.69,;-12.66,4.16,;-11.15,3.84,;-10.38,2.51,)|
Show InChI InChI=1S/C30H29N3O5/c34-29(35)14-19-1-4-21(5-2-19)22-6-8-23(9-7-22)24-10-12-28-32-25(17-33(28)16-24)30(36)31-15-20-3-11-26-27(13-20)38-18-37-26/h3,6-13,16-17,19,21H,1-2,4-5,14-15,18H2,(H,31,36)(H,34,35)/t19-,21?
PDB

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n/an/a<1n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
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