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Compile Data Set for Download or QSAR

Found 183 hits with Last Name = 'marby' and Initial = 'k'   
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 2


(Homo sapiens (Human))
BDBM435283
PNG
(US10568876, Example 46 | ethyl 5-(2-(tert-butylcar...)
Show SMILES CCOC(=O)c1cncc(c1)-c1ccc(CNC(=O)C2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H38N4O4/c1-5-41-31(39)24-15-23(17-34-18-24)25-12-11-22(19-35-30(38)28-16-27(28)21-9-7-6-8-10-21)29-20-37(14-13-26(25)29)32(40)36-33(2,3)4/h6-12,15,17-18,27-28H,5,13-14,16,19-20H2,1-4H3,(H,35,38)(H,36,40)/t27-,28?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435291
PNG
(US10568876, Example 54 | methyl 3-(2-((1-methylcyc...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)c2CN(CCc12)C(=O)NC1(C)CC1 |r|
Show InChI InChI=1S/C33H35N3O4/c1-33(14-15-33)35-32(39)36-16-13-26-25(22-9-6-10-23(17-22)31(38)40-2)12-11-24(29(26)20-36)19-34-30(37)28-18-27(28)21-7-4-3-5-8-21/h3-12,17,27-28H,13-16,18-20H2,1-2H3,(H,34,37)(H,35,39)/t27-,28+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499290
PNG
(CHEMBL3734797)
Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435252
PNG
(US10568876, Example 17 | methyl 3-(2-(tert-butylca...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)C2CC22CCCCC2)c2CN(CCc12)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H41N3O4/c1-31(2,3)34-30(38)35-16-13-25-24(21-9-8-10-22(17-21)29(37)39-4)12-11-23(26(25)20-35)19-33-28(36)27-18-32(27)14-6-5-7-15-32/h8-12,17,27H,5-7,13-16,18-20H2,1-4H3,(H,33,36)(H,34,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499298
PNG
(CHEMBL3734847)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@H]2C[C@@H]2c2nc(C)no2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H35N5O4/c1-17-31-27(38-33-17)24-14-23(24)26(35)30-15-19-9-10-21(18-7-6-8-20(13-18)37-5)22-11-12-34(16-25(19)22)28(36)32-29(2,3)4/h6-10,13,23-24H,11-12,14-16H2,1-5H3,(H,30,35)(H,32,36)/t23-,24-/m0/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435246
PNG
(N-(tert-butyl)-5-(3-methoxyphenyl)-8- (((trans)-2-...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2nc(C)no2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H35N5O4/c1-17-31-27(38-33-17)24-14-23(24)26(35)30-15-19-9-10-21(18-7-6-8-20(13-18)37-5)22-11-12-34(16-25(19)22)28(36)32-29(2,3)4/h6-10,13,23-24H,11-12,14-16H2,1-5H3,(H,30,35)(H,32,36)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435236
PNG
(US10568876, Example 1)
Show SMILES Cc1noc(n1)C1CC1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C
Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435247
PNG
(N-(tert-butyl)-8-(((trans)-2-(3-methyl- 1,2,4-oxad...)
Show SMILES Cc1noc(n1)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499292
PNG
(CHEMBL3734764)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H37N3O3/c1-32(2,3)34-31(37)35-16-15-26-25(22-11-8-12-24(17-22)38-4)14-13-23(29(26)20-35)19-33-30(36)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,36)(H,34,37)/t27-,28+/m0/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435288
PNG
(5-(3-(1,2,4-oxadiazol-3-yl)phenyl)-N- (tert-butyI)...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)-c1ncon1 |r|
Show InChI InChI=1S/C33H35N5O3/c1-33(2,3)36-32(40)38-15-14-26-25(22-10-7-11-23(16-22)30-35-20-41-37-30)13-12-24(29(26)19-38)18-34-31(39)28-17-27(28)21-8-5-4-6-9-21/h4-13,16,20,27-28H,14-15,17-19H2,1-3H3,(H,34,39)(H,36,40)/t27-,28?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435238
PNG
(N-(tert-butyl)-8-(((trans)-2-(3-methyl- 1,2,4-oxad...)
Show SMILES Cc1noc(n1)C1C[C@@H]1C(=O)NCc1ccc(-c2cccc(c2)C(F)(F)F)c2CCN(Cc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O3/c1-16-34-26(40-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435248
PNG
(N-(tert-butyl)-5-(3-methoxyphenyl)-8- ((2-(pyridin...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)C2CC2c2cccnc2)c2CN(CCc12)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H36N4O3/c1-31(2,3)34-30(37)35-14-12-25-24(20-7-5-9-23(15-20)38-4)11-10-22(28(25)19-35)18-33-29(36)27-16-26(27)21-8-6-13-32-17-21/h5-11,13,15,17,26-27H,12,14,16,18-19H2,1-4H3,(H,33,36)(H,34,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435302
PNG
(5-(3-methoxyphenyl)-8-(((trans)-2-(3- methyl-1,2,4...)
Show SMILES CCCNC(=O)N1CCc2c(C1)c(CNC(=O)[C@@H]1C[C@H]1c1nc(C)no1)ccc2-c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H33N5O4/c1-4-11-29-28(35)33-12-10-22-21(18-6-5-7-20(13-18)36-3)9-8-19(25(22)16-33)15-30-26(34)23-14-24(23)27-31-17(2)32-37-27/h5-9,13,23-24H,4,10-12,14-16H2,1-3H3,(H,29,35)(H,30,34)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435255
PNG
(N-(tert-butyl)-5-(3-methoxyphenyl)-8- (((trans)-2-...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccnc2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H36N4O3/c1-31(2,3)34-30(37)35-14-12-25-24(20-7-5-9-23(15-20)38-4)11-10-22(28(25)19-35)18-33-29(36)27-16-26(27)21-8-6-13-32-17-21/h5-11,13,15,17,26-27H,12,14,16,18-19H2,1-4H3,(H,33,36)(H,34,37)/t26-,27+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435287
PNG
(5-(3-(1H-1,2,4-triazol-1-yl)phenyl)-N- (tert-butyl...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)-n1cncn1 |r|
Show InChI InChI=1S/C33H36N6O2/c1-33(2,3)37-32(41)38-15-14-27-26(23-10-7-11-25(16-23)39-21-34-20-36-39)13-12-24(30(27)19-38)18-35-31(40)29-17-28(29)22-8-5-4-6-9-22/h4-13,16,20-21,28-29H,14-15,17-19H2,1-3H3,(H,35,40)(H,37,41)/t28-,29?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435293
PNG
(US10568876, Example 56 | methyl 3-(2-((3,3-difluor...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)C2CC2c2ccccc2)c2CN(CCc12)C(=O)NC1CC(F)(F)C1
Show InChI InChI=1S/C33H33F2N3O4/c1-42-31(40)22-9-5-8-21(14-22)25-11-10-23(18-36-30(39)28-15-27(28)20-6-3-2-4-7-20)29-19-38(13-12-26(25)29)32(41)37-24-16-33(34,35)17-24/h2-11,14,24,27-28H,12-13,15-19H2,1H3,(H,36,39)(H,37,41)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435292
PNG
(US10568876, Example 55 | methyl 3-(2-((1-methylcyc...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)C2CC2c2ccccc2)c2CN(CCc12)C(=O)NC1(C)CCCC1
Show InChI InChI=1S/C35H39N3O4/c1-35(16-6-7-17-35)37-34(41)38-18-15-28-27(24-11-8-12-25(19-24)33(40)42-2)14-13-26(31(28)22-38)21-36-32(39)30-20-29(30)23-9-4-3-5-10-23/h3-5,8-14,19,29-30H,6-7,15-18,20-22H2,1-2H3,(H,36,39)(H,37,41)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435286
PNG
(5-(3-(1,3,4-oxadiazol-2-yl)phenyl)-N- (tert-butyl)...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)-c1nnco1 |r|
Show InChI InChI=1S/C33H35N5O3/c1-33(2,3)36-32(40)38-15-14-26-25(22-10-7-11-23(16-22)31-37-35-20-41-31)13-12-24(29(26)19-38)18-34-30(39)28-17-27(28)21-8-5-4-6-9-21/h4-13,16,20,27-28H,14-15,17-19H2,1-3H3,(H,34,39)(H,36,40)/t27-,28?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435240
PNG
(5-(3-(1H-1,2,3-triazol-1-yl)phenyl)-N- (tert-butyl...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)-n1ccnn1 |r|
Show InChI InChI=1S/C33H36N6O2/c1-33(2,3)36-32(41)38-16-14-27-26(23-10-7-11-25(18-23)39-17-15-35-37-39)13-12-24(30(27)21-38)20-34-31(40)29-19-28(29)22-8-5-4-6-9-22/h4-13,15,17-18,28-29H,14,16,19-21H2,1-3H3,(H,34,40)(H,36,41)/t28-,29?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435303
PNG
(8-(((trans)-2-(3-methyl-1,2,4-oxadiazol-5- yl)cycl...)
Show SMILES CCCNC(=O)N1CCc2c(C1)c(CNC(=O)[C@@H]1C[C@H]1c1nc(C)no1)ccc2-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F3N5O3/c1-3-10-32-27(38)36-11-9-21-20(17-5-4-6-19(12-17)28(29,30)31)8-7-18(24(21)15-36)14-33-25(37)22-13-23(22)26-34-16(2)35-39-26/h4-8,12,22-23H,3,9-11,13-15H2,1-2H3,(H,32,38)(H,33,37)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435270
PNG
(5-(3-(1H-pyrazol-1-yl)phenyl)-N-(tert- butyl)-8-((...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)-n1cccn1 |r|
Show InChI InChI=1S/C34H37N5O2/c1-34(2,3)37-33(41)38-18-15-28-27(24-11-7-12-26(19-24)39-17-8-16-36-39)14-13-25(31(28)22-38)21-35-32(40)30-20-29(30)23-9-5-4-6-10-23/h4-14,16-17,19,29-30H,15,18,20-22H2,1-3H3,(H,35,40)(H,37,41)/t29-,30?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435239
PNG
(N-(tert-butyl)-8-((2-(pyridin-3- yl)cyclopropaneca...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1CC1c1cccnc1)ccc2-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C31H33F3N4O3/c1-30(2,3)37-29(40)38-13-11-24-23(19-6-4-8-22(14-19)41-31(32,33)34)10-9-21(27(24)18-38)17-36-28(39)26-15-25(26)20-7-5-12-35-16-20/h4-10,12,14,16,25-26H,11,13,15,17-18H2,1-3H3,(H,36,39)(H,37,40)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435290
PNG
(US10568876, Example 53)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)C2CC2c2nc(C)no2)c2CN(CCc12)C(=O)NC1(C)COC1
Show InChI InChI=1S/C29H33N5O5/c1-17-31-27(39-33-17)24-12-23(24)26(35)30-13-19-7-8-21(18-5-4-6-20(11-18)37-3)22-9-10-34(14-25(19)22)28(36)32-29(2)15-38-16-29/h4-8,11,23-24H,9-10,12-16H2,1-3H3,(H,30,35)(H,32,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435304
PNG
(8-(((trans)-2-(3-methyl-1,2,4-oxadiazol-5- yl)cycl...)
Show SMILES Cc1noc(n1)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC1(C)COC1 |r|
Show InChI InChI=1S/C29H30F3N5O5/c1-16-34-26(42-36-16)23-11-22(23)25(38)33-12-18-6-7-20(17-4-3-5-19(10-17)41-29(30,31)32)21-8-9-37(13-24(18)21)27(39)35-28(2)14-40-15-28/h3-7,10,22-23H,8-9,11-15H2,1-2H3,(H,33,38)(H,35,39)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435305
PNG
(5-(3-methoxyphenyl)-N-(3-methyloxetan- 3-yl)-8-(((...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2CC2c2ccccc2)c2CN(CCc12)C(=O)NC1(C)COC1 |r|
Show InChI InChI=1S/C32H35N3O4/c1-32(19-39-20-32)34-31(37)35-14-13-26-25(22-9-6-10-24(15-22)38-2)12-11-23(29(26)18-35)17-33-30(36)28-16-27(28)21-7-4-3-5-8-21/h3-12,15,27-28H,13-14,16-20H2,1-2H3,(H,33,36)(H,34,37)/t27?,28-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435242
PNG
(US10568876, Example 21 | US10568876, Example 7 | m...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)C2CC2c2nc(C)no2)c2CN(CCc12)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H35N5O5/c1-17-32-27(40-34-17)24-14-23(24)26(36)31-15-20-9-10-21(18-7-6-8-19(13-18)28(37)39-5)22-11-12-35(16-25(20)22)29(38)33-30(2,3)4/h6-10,13,23-24H,11-12,14-16H2,1-5H3,(H,31,36)(H,33,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435242
PNG
(US10568876, Example 21 | US10568876, Example 7 | m...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)C2CC2c2nc(C)no2)c2CN(CCc12)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H35N5O5/c1-17-32-27(40-34-17)24-14-23(24)26(36)31-15-20-9-10-21(18-7-6-8-19(13-18)28(37)39-5)22-11-12-35(16-25(20)22)29(38)33-30(2,3)4/h6-10,13,23-24H,11-12,14-16H2,1-5H3,(H,31,36)(H,33,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435258
PNG
(N-(tert-butyl)-5-(3-cyanophenyl)-8- (((trans)-2- p...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)[C@@H]1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C32H34N4O2/c1-32(2,3)35-31(38)36-15-14-26-25(23-11-7-8-21(16-23)18-33)13-12-24(29(26)20-36)19-34-30(37)28-17-27(28)22-9-5-4-6-10-22/h4-13,16,27-28H,14-15,17,19-20H2,1-3H3,(H,34,37)(H,35,38)/t27-,28+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435306
PNG
(8-(((trans)-2-(3-methyl-1,2,4-oxadiazol-5- yl)cycl...)
Show SMILES Cc1noc(n1)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cccc(c2)C(F)(F)F)c2CCN(Cc12)C(=O)NC1(C)COC1 |r|
Show InChI InChI=1S/C29H30F3N5O4/c1-16-34-26(41-36-16)23-11-22(23)25(38)33-12-18-6-7-20(17-4-3-5-19(10-17)29(30,31)32)21-8-9-37(13-24(18)21)27(39)35-28(2)14-40-15-28/h3-7,10,22-23H,8-9,11-15H2,1-2H3,(H,33,38)(H,35,39)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435289
PNG
(N-(tert-butyl)-5-(3-(2-hydroxypropan- 2-yl)phenyl)...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)C(C)(C)O |r|
Show InChI InChI=1S/C34H41N3O3/c1-33(2,3)36-32(39)37-17-16-27-26(23-12-9-13-25(18-23)34(4,5)40)15-14-24(30(27)21-37)20-35-31(38)29-19-28(29)22-10-7-6-8-11-22/h6-15,18,28-29,40H,16-17,19-21H2,1-5H3,(H,35,38)(H,36,39)/t28-,29?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435307
PNG
(5-(3-methoxyphenyl)-8-(((trans-2- phenylcyclopropa...)
Show SMILES CCNC(=O)N1CCc2c(C1)c(CNC(=O)[C@@H]1C[C@H]1c1ccccc1)ccc2-c1cccc(OC)c1 |r|
Show InChI InChI=1S/C30H33N3O3/c1-3-31-30(35)33-15-14-25-24(21-10-7-11-23(16-21)36-2)13-12-22(28(25)19-33)18-32-29(34)27-17-26(27)20-8-5-4-6-9-20/h4-13,16,26-27H,3,14-15,17-19H2,1-2H3,(H,31,35)(H,32,34)/t26-,27+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435308
PNG
(N-cyclopropyl-5-(3-methoxyphenyl)-8- (((trans2- ph...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C31H33N3O3/c1-37-24-9-5-8-21(16-24)25-13-10-22(18-32-30(35)28-17-27(28)20-6-3-2-4-7-20)29-19-34(15-14-26(25)29)31(36)33-23-11-12-23/h2-10,13,16,23,27-28H,11-12,14-15,17-19H2,1H3,(H,32,35)(H,33,36)/t27-,28+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50499286
PNG
(CHEMBL3735388)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(C)=O |r|
Show InChI InChI=1S/C29H30N2O3/c1-19(32)31-14-13-25-24(21-9-6-10-23(15-21)34-2)12-11-22(28(25)18-31)17-30-29(33)27-16-26(27)20-7-4-3-5-8-20/h3-12,15,26-27H,13-14,16-18H2,1-2H3,(H,30,33)/t26-,27+/m0/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435309
PNG
(5-(3-methoxyphenyl)-N-(3-methylbutan-2- yl)-H((tra...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)C(C)C |r|
Show InChI InChI=1S/C33H39N3O3/c1-21(2)22(3)35-33(38)36-16-15-28-27(24-11-8-12-26(17-24)39-4)14-13-25(31(28)20-36)19-34-32(37)30-18-29(30)23-9-6-5-7-10-23/h5-14,17,21-22,29-30H,15-16,18-20H2,1-4H3,(H,34,37)(H,35,38)/t22?,29-,30+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435295
PNG
(N-(3-methyl-1,1- dioxidotetrahydrothiophen-3-yl)-8...)
Show SMILES Cc1noc(n1)C1CC1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC1(C)CCS(=O)(=O)C1
Show InChI InChI=1S/C30H32F3N5O6S/c1-17-35-27(44-37-17)24-13-23(24)26(39)34-14-19-6-7-21(18-4-3-5-20(12-18)43-30(31,32)33)22-8-10-38(15-25(19)22)28(40)36-29(2)9-11-45(41,42)16-29/h3-7,12,23-24H,8-11,13-16H2,1-2H3,(H,34,39)(H,36,40)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435244
PNG
(N-(tert-butyl)-8-(((trans)-2- phenylcyclopropaneca...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)[C@H]1C[C@@H]1c1ccccc1)ccc2-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C32H34F3N3O3/c1-31(2,3)37-30(40)38-15-14-25-24(21-10-7-11-23(16-21)41-32(33,34)35)13-12-22(28(25)19-38)18-36-29(39)27-17-26(27)20-8-5-4-6-9-20/h4-13,16,26-27H,14-15,17-19H2,1-3H3,(H,36,39)(H,37,40)/t26-,27+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435249
PNG
(N-(tert-butyl)-8-(((trans)-2- phenylcyclopropaneca...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)[C@@H]1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C32H34F3N3O2/c1-31(2,3)37-30(40)38-15-14-25-24(21-10-7-11-23(16-21)32(33,34)35)13-12-22(28(25)19-38)18-36-29(39)27-17-26(27)20-8-5-4-6-9-20/h4-13,16,26-27H,14-15,17-19H2,1-3H3,(H,36,39)(H,37,40)/t26-,27+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435310
PNG
(8-(((trans)-2-(3-methyl-1,2,4-oxadiazol-5- yl)cycl...)
Show SMILES Cc1noc(n1)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC1COC1 |r|
Show InChI InChI=1S/C28H28F3N5O5/c1-15-33-26(41-35-15)23-10-22(23)25(37)32-11-17-5-6-20(16-3-2-4-19(9-16)40-28(29,30)31)21-7-8-36(12-24(17)21)27(38)34-18-13-39-14-18/h2-6,9,18,22-23H,7-8,10-14H2,1H3,(H,32,37)(H,34,38)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435263
PNG
(N-(tert-butyl)-5-(3- methylbenzo[d]isoxazol-5-yl)-...)
Show SMILES Cc1noc2ccc(cc12)-c1ccc(CNC(=O)C2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H36N4O3/c1-20-26-16-22(11-13-30(26)40-36-20)24-12-10-23(18-34-31(38)28-17-27(28)21-8-6-5-7-9-21)29-19-37(15-14-25(24)29)32(39)35-33(2,3)4/h5-13,16,27-28H,14-15,17-19H2,1-4H3,(H,34,38)(H,35,39)/t27-,28?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499289
PNG
(CHEMBL3735235)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C32H36N2O4/c1-32(2,3)38-31(36)34-16-15-26-25(22-11-8-12-24(17-22)37-4)14-13-23(29(26)20-34)19-33-30(35)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,35)/t27-,28+/m0/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435243
PNG
(N-(tert-butyl)-5-(5-methylpyridin-3- yl)-8-(((tran...)
Show SMILES Cc1cncc(c1)-c1ccc(CNC(=O)C2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H36N4O2/c1-20-14-23(17-32-16-20)24-11-10-22(18-33-29(36)27-15-26(27)21-8-6-5-7-9-21)28-19-35(13-12-25(24)28)30(37)34-31(2,3)4/h5-11,14,16-17,26-27H,12-13,15,18-19H2,1-4H3,(H,33,36)(H,34,37)/t26-,27?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435294
PNG
(N-(3,3-difluorocyclobutyl)-5-(3- methoxyphenyl)-8-...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)C2CC2c2ccccc2)c2CN(CCc12)C(=O)NC1CC(F)(F)C1
Show InChI InChI=1S/C32H33F2N3O3/c1-40-24-9-5-8-21(14-24)25-11-10-22(18-35-30(38)28-15-27(28)20-6-3-2-4-7-20)29-19-37(13-12-26(25)29)31(39)36-23-16-32(33,34)17-23/h2-11,14,23,27-28H,12-13,15-19H2,1H3,(H,35,38)(H,36,39)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435311
PNG
(5-(3-methoxyphenyl)-N-(oxetan-3-yl)-8- (((trans)-2...)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC1COC1 |r|
Show InChI InChI=1S/C31H33N3O4/c1-37-24-9-5-8-21(14-24)25-11-10-22(16-32-30(35)28-15-27(28)20-6-3-2-4-7-20)29-17-34(13-12-26(25)29)31(36)33-23-18-38-19-23/h2-11,14,23,27-28H,12-13,15-19H2,1H3,(H,32,35)(H,33,36)/t27-,28+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435274
PNG
(N-(tert-butyl)-5-(1-isobutyl-1H- pyrazol-4-yl)-8-(...)
Show SMILES CC(C)Cn1cc(cn1)-c1ccc(CNC(=O)C2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H41N5O2/c1-21(2)18-37-19-24(17-34-37)25-12-11-23(16-33-30(38)28-15-27(28)22-9-7-6-8-10-22)29-20-36(14-13-26(25)29)31(39)35-32(3,4)5/h6-12,17,19,21,27-28H,13-16,18,20H2,1-5H3,(H,33,38)(H,35,39)/t27-,28?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435285
PNG
(5-(3-(2H-1,2,3-triazol-2-yl)phenyl)-N- (tert-butyl...)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)c(CNC(=O)C1C[C@H]1c1ccccc1)ccc2-c1cccc(c1)-n1nccn1 |r|
Show InChI InChI=1S/C33H36N6O2/c1-33(2,3)37-32(41)38-17-14-27-26(23-10-7-11-25(18-23)39-35-15-16-36-39)13-12-24(30(27)21-38)20-34-31(40)29-19-28(29)22-8-5-4-6-9-22/h4-13,15-16,18,28-29H,14,17,19-21H2,1-3H3,(H,34,40)(H,37,41)/t28-,29?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435317
PNG
(5-(3-(1H-pyrazol-1-yl)phenyl)-N-((S)-3- methyl-1,1...)
Show SMILES Cc1noc(n1)C1CC1C(=O)NCc1ccc(-c2cccc(c2)-n2cccn2)c2CCN(Cc12)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 |r|
Show InChI InChI=1S/C32H35N7O5S/c1-20-35-30(44-37-20)27-16-26(27)29(40)33-17-22-7-8-24(21-5-3-6-23(15-21)39-12-4-11-34-39)25-9-13-38(18-28(22)25)31(41)36-32(2)10-14-45(42,43)19-32/h3-8,11-12,15,26-27H,9-10,13-14,16-19H2,1-2H3,(H,33,40)(H,36,41)/t26?,27?,32-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435241
PNG
(8-(((trans)-2-(3-methyl-1,2,4- oxadiazol-5-yl) cyc...)
Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(c2)-n2ccnn2)c2CCN(Cc12)C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C31H29N9O3/c1-19-35-30(43-37-19)27-15-26(27)29(41)33-16-21-7-8-24(20-4-2-6-23(14-20)40-13-11-34-38-40)25-9-12-39(18-28(21)25)31(42)36-22-5-3-10-32-17-22/h2-8,10-11,13-14,17,26-27H,9,12,15-16,18H2,1H3,(H,33,41)(H,36,42)/t26-,27-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435237
PNG
(N-(isoxazol-3-yl)-8-(((trans)-2-(3- methyl-1,2,4-o...)
Show SMILES Cc1noc(n1)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)Nc1ccon1 |r|
Show InChI InChI=1S/C28H25F3N6O5/c1-15-33-26(42-35-15)22-12-21(22)25(38)32-13-17-5-6-19(16-3-2-4-18(11-16)41-28(29,30)31)20-7-9-37(14-23(17)20)27(39)34-24-8-10-40-36-24/h2-6,8,10-11,21-22H,7,9,12-14H2,1H3,(H,32,38)(H,34,36,39)/t21-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM360598
PNG
(US9828369, Example 155 | methyl 3-(8-((3-(2,3- dic...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12
Show InChI InChI=1S/C25H19Cl2N3O3/c1-33-24(31)16-5-2-4-15(12-16)18-9-8-17(20-14-28-11-10-19(18)20)13-29-25(32)30-22-7-3-6-21(26)23(22)27/h2-12,14H,13H2,1H3,(H2,29,30,32)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM435262
PNG
(N-(isoxazol-3-yl)-8-(((trans)-2-(3- methyl-1,2,4-o...)
Show SMILES Cc1noc(n1)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cccc(c2)C(F)(F)F)c2CCN(Cc12)C(=O)Nc1ccon1 |r|
Show InChI InChI=1S/C28H25F3N6O4/c1-15-33-26(41-35-15)22-12-21(22)25(38)32-13-17-5-6-19(16-3-2-4-18(11-16)28(29,30)31)20-7-9-37(14-23(17)20)27(39)34-24-8-10-40-36-24/h2-6,8,10-11,21-22H,7,9,12-14H2,1H3,(H,32,38)(H,34,36,39)/t21-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair
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