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Compile Data Set for Download or QSAR

Found 1817 hits of ic50 for UniProtKB: Q96PD7   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530846
PNG
(WO2022076496, Example 137)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cc2c(N(C(=O)C2(C)C)c2cc(OC(F)F)ccc2F)c(F)c1
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n/an/a 0.510n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3JJ9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486396
PNG
(US10947222, Example 27-A)
Show SMILES FC(F)Oc1cccc(c1)-c1cn(-c2ccc(F)cc2)c2cc(ccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 |r|
Show InChI InChI=1S/C26H21F3N2O4S/c27-18-5-7-20(8-6-18)31-14-23(16-2-1-3-21(12-16)35-26(28)29)22-9-4-17(13-24(22)31)25(32)30-19-10-11-36(33,34)15-19/h1-9,12-14,19,26H,10-11,15H2,(H,30,32)/t19-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323669
PNG
((R)-(2-(3-(2- ethoxyphenoxy)piperidin- 1-yl)pyrimi...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)N1CC(C1)Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c1-2-33-24-12-6-7-13-25(24)35-22-11-8-14-30(17-22)27-28-15-20(16-29-27)26(32)31-18-23(19-31)34-21-9-4-3-5-10-21/h3-7,9-10,12-13,15-16,22-23H,2,8,11,14,17-19H2,1H3/t22-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US10188653 (2019)


BindingDB Entry DOI: 10.7270/Q28G8NS4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323669
PNG
((R)-(2-(3-(2- ethoxyphenoxy)piperidin- 1-yl)pyrimi...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)N1CC(C1)Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c1-2-33-24-12-6-7-13-25(24)35-22-11-8-14-30(17-22)27-28-15-20(16-29-27)26(32)31-18-23(19-31)34-21-9-4-3-5-10-21/h3-7,9-10,12-13,15-16,22-23H,2,8,11,14,17-19H2,1H3/t22-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US9789110 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N81
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530797
PNG
(WO2022076496, Example 94)
Show SMILES CC1(C)C(=O)N(c2cc(F)c(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1)c1cc(OCC(F)F)ncc1F
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3JJ9
More data for this
Ligand-Target Pair
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))
BDBM530621
PNG
(1-(5-(difluoromethoxy)-2-fluorophenyl)-3-(3-hydrox...)
Show SMILES CC(n1c2cc(ccc2n(-c2cc(OC(F)F)ccc2F)c1=O)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |(2.68,2.55,;1.65,1.41,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-2.39,-3.51,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;11.03,-1.1,;9.49,1.57,;10.82,2.34,;10.05,3.67,;12.16,3.11,;11.59,1.01,;.14,1.73,;-.89,.58,;.62,.26,;-.33,3.19,)|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00247
BindingDB Entry DOI: 10.7270/Q2V128TJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530621
PNG
(1-(5-(difluoromethoxy)-2-fluorophenyl)-3-(3-hydrox...)
Show SMILES CC(n1c2cc(ccc2n(-c2cc(OC(F)F)ccc2F)c1=O)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |(2.68,2.55,;1.65,1.41,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-2.39,-3.51,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;11.03,-1.1,;9.49,1.57,;10.82,2.34,;10.05,3.67,;12.16,3.11,;11.59,1.01,;.14,1.73,;-.89,.58,;.62,.26,;-.33,3.19,)|
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TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486376
PNG
(3-(3-cyclopropylphenyl)-1-(5- fluoropyridin-2-yl)-...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(cn(-c3ccc(F)cn3)c2c1)-c1cccc(c1)C1CC1 |r|
Show InChI InChI=1S/C28H26FN3O3S/c1-28(11-12-36(34,35)17-28)31-27(33)21-7-9-23-24(20-4-2-3-19(13-20)18-5-6-18)16-32(25(23)14-21)26-10-8-22(29)15-30-26/h2-4,7-10,13-16,18H,5-6,11-12,17H2,1H3,(H,31,33)/t28-/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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486393
PNG
(3-(5-(difluoromethoxy)pyridin- 3-yl)-1-(4-fluoroph...)
Show SMILES CC1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(cn(-c3ccc(F)cc3)c2c1)-c1cncc(OC(F)F)c1
Show InChI InChI=1S/C26H22F3N3O4S/c1-26(8-9-37(34,35)15-26)31-24(33)16-2-7-21-22(17-10-20(13-30-12-17)36-25(28)29)14-32(23(21)11-16)19-5-3-18(27)4-6-19/h2-7,10-14,25H,8-9,15H2,1H3,(H,31,33)
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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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486375
PNG
(3-(3-cyclopropylphenyl)-1-(5- fluoropyridin-2-yl)-...)
Show SMILES C[C@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(cn(-c3ccc(F)cn3)c2c1)-c1cccc(c1)C1CC1 |r|
Show InChI InChI=1S/C28H26FN3O3S/c1-28(11-12-36(34,35)17-28)31-27(33)21-7-9-23-24(20-4-2-3-19(13-20)18-5-6-18)16-32(25(23)14-21)26-10-8-22(29)15-30-26/h2-4,7-10,13-16,18H,5-6,11-12,17H2,1H3,(H,31,33)/t28-/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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530766
PNG
(WO2022076496, Example 63)
Show SMILES CC1(C)C(=O)N(c2ccc(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1)c1cc(OC(F)(F)C(F)F)ccn1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3JJ9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627271
PNG
(3-[3-(cyclopropoxy)phenyl]- 1-isopropyl-N-(3-methy...)
Show SMILES CC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627271
PNG
(3-[3-(cyclopropoxy)phenyl]- 1-isopropyl-N-(3-methy...)
Show SMILES CC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486386
PNG
(3-(3-(difluoromethoxy)phenyl)-1-(5- fluoropyrimidi...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(cn(-c3ncc(F)cn3)c2c1)-c1cccc(OC(F)F)c1 |r|
Show InChI InChI=1S/C25H21F3N4O4S/c1-25(7-8-37(34,35)14-25)31-22(33)16-5-6-19-20(15-3-2-4-18(9-15)36-23(27)28)13-32(21(19)10-16)24-29-11-17(26)12-30-24/h2-6,9-13,23H,7-8,14H2,1H3,(H,31,33)/t25-/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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486372
PNG
(3-(3-(difluoromethoxy)phenyl)-1-(5- fluoropyridin-...)
Show SMILES C[C@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(cn(-c3ccc(F)cn3)c2c1)-c1cccc(OC(F)F)c1 |r|
Show InChI InChI=1S/C26H22F3N3O4S/c1-26(9-10-37(34,35)15-26)31-24(33)17-5-7-20-21(16-3-2-4-19(11-16)36-25(28)29)14-32(22(20)12-17)23-8-6-18(27)13-30-23/h2-8,11-14,25H,9-10,15H2,1H3,(H,31,33)/t26-/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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627288
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627288
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486373
PNG
(3-(3-(difluoromethoxy)phenyl)-1-(5- fluoropyridin-...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(cn(-c3ccc(F)cn3)c2c1)-c1cccc(OC(F)F)c1 |r|
Show InChI InChI=1S/C26H22F3N3O4S/c1-26(9-10-37(34,35)15-26)31-24(33)17-5-7-20-21(16-3-2-4-19(11-16)36-25(28)29)14-32(22(20)12-17)23-8-6-18(27)13-30-23/h2-8,11-14,25H,9-10,15H2,1H3,(H,31,33)/t26-/m0/s1
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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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530630
PNG
(WO2022076495, EXAMPLE 70a)
Show SMILES C[C@H](n1c2cc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(F)cc2n(-c2cc(OC(F)(F)F)ccc2F)c1=O)C(C)(C)O |r,wU:1.0,(.14,1.73,;1.65,1.41,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;10.79,-1.21,;9.27,1.42,;9.8,2.86,;11.31,3.13,;10.79,4.58,;12.65,3.9,;12.3,1.95,;11.78,.5,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-2.39,-3.51,;-3.35,-6.44,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.22,-1.3,;-.32,-1.3,;2.68,2.55,;4.19,2.23,;3.16,1.09,;2.2,4.02,)|
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TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530728
PNG
(WO2022076496, Example 26)
Show SMILES CC1(C)C(=O)N(c2ccc(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1)c1cncc(OC(F)(F)C(F)F)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3JJ9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627182
PNG
(3-(3-(difluoromethoxy)phenyl)-4- fluoro-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2c(F)cc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50594461
PNG
(CHEMBL5202996)
Show SMILES CC(n1c2cc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(F)cc2n(-c2cc(OC(F)(F)F)ccc2F)c1=O)C(C)(C)O |(2.41,-4.44,;3.43,-3.29,;2.95,-1.83,;1.48,-1.37,;.14,-2.14,;-1.2,-1.37,;-2.53,-2.14,;-2.53,-3.68,;-3.86,-1.37,;-5.2,-2.14,;-5.61,-.65,;-6.53,-1.36,;-7.86,-2.12,;-7.88,-3.66,;-8.66,-4.99,;-9.42,-3.65,;-6.54,-4.43,;-5.2,-3.67,;-1.19,.17,;-2.53,.94,;.13,.94,;1.47,.18,;2.93,.66,;3.4,2.12,;4.91,2.45,;5.38,3.92,;6.88,4.24,;7.92,3.1,;9.42,3.43,;7.45,1.64,;9,2.02,;4.34,5.06,;2.83,4.72,;2.37,3.25,;.86,2.92,;3.85,-.58,;5.39,-.57,;4.93,-3.59,;5.42,-5.06,;5.95,-2.44,;6.41,-3.99,)|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00247
BindingDB Entry DOI: 10.7270/Q2V128TJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50594459
PNG
(CHEMBL5179522)
Show SMILES CC(n1c2cc(ccc2n(-c2cc(OC(F)F)ccc2F)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O |(2.41,-4.44,;3.43,-3.29,;2.95,-1.83,;1.48,-1.37,;.14,-2.14,;-1.2,-1.37,;-1.19,.17,;.13,.94,;1.47,.18,;2.93,.66,;3.4,2.12,;4.91,2.45,;5.38,3.91,;6.88,4.24,;7.92,3.1,;9.42,3.43,;7.45,1.64,;4.34,5.06,;2.83,4.72,;2.37,3.25,;.86,2.92,;3.85,-.58,;5.39,-.57,;-2.53,-2.14,;-2.53,-3.68,;-3.86,-1.37,;-5.2,-2.14,;-5.61,-.65,;-6.53,-1.36,;-7.86,-2.12,;-7.88,-3.66,;-8.66,-4.99,;-9.42,-3.65,;-6.54,-4.43,;-5.2,-3.67,;4.93,-3.59,;5.42,-5.06,;5.95,-2.44,;6.41,-3.99,)|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00247
BindingDB Entry DOI: 10.7270/Q2V128TJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486408
PNG
(3-[3-(difluoromethoxy)phenyl]-N- (1,1-dioxidotetra...)
Show SMILES FC(F)Oc1cccc(c1)-c1cn(-c2ccc(F)cc2)c2cc(ccc12)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C26H21F3N2O4S/c27-18-5-7-20(8-6-18)31-14-23(16-2-1-3-21(12-16)35-26(28)29)22-9-4-17(13-24(22)31)25(32)30-19-10-11-36(33,34)15-19/h1-9,12-14,19,26H,10-11,15H2,(H,30,32)
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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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530622
PNG
(WO2022076495, EXAMPLE 66a)
Show SMILES C[C@H](n1c2cc(ccc2n(-c2cc(OC(F)F)ccc2F)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O |r,wU:1.0,(.14,1.73,;1.65,1.41,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-2.39,-3.51,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;10.79,-1.21,;9.27,1.42,;9.8,2.86,;11.31,3.13,;10.79,4.58,;12.65,3.9,;12.3,1.95,;11.78,.5,;2.68,2.55,;4.19,2.23,;3.16,1.09,;2.2,4.02,)|
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Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
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))
BDBM530847
PNG
(WO2022076496, Example 138)
Show SMILES C[C@]1(CCS(=O)(=O)C1)NC(=O)c1cc2c(N(C(=O)C2(C)C)c2cc(OC(F)F)ccc2F)c(F)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3JJ9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
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Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 assessed as reduction in synthesis of triglycerol in human hepatocyte using [14C]glycerol as substrate preincubated for 20 ...


J Med Chem 61: 1767-1773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00762
BindingDB Entry DOI: 10.7270/Q2C53P79
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323644
PNG
((R)-(2-(3-(2- ethoxyphenoxy)piperidin- 1-yl)pyrimi...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C26H28N4O3/c1-2-32-23-11-5-6-12-24(23)33-22-10-7-13-29(18-22)26-27-14-21(15-28-26)25(31)30-16-19-8-3-4-9-20(19)17-30/h3-6,8-9,11-12,14-15,22H,2,7,10,13,16-18H2,1H3/t22-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US10188653 (2019)


BindingDB Entry DOI: 10.7270/Q28G8NS4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM517319
PNG
(3-[3- (difluoromethoxy)phenyl]- N-(1,1- dioxidotet...)
Show SMILES FC(F)Oc1cccc(c1)-c1nn(-c2ccc(F)cc2)c2cc(ccc12)C(=O)N[C@@H]1CCS(=O)(=O)C1 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP497K
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323644
PNG
((R)-(2-(3-(2- ethoxyphenoxy)piperidin- 1-yl)pyrimi...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C26H28N4O3/c1-2-32-23-11-5-6-12-24(23)33-22-10-7-13-29(18-22)26-27-14-21(15-28-26)25(31)30-16-19-8-3-4-9-20(19)17-30/h3-6,8-9,11-12,14-15,22H,2,7,10,13,16-18H2,1H3/t22-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US9789110 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N81
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627228
PNG
(3-[3-(difluoromethoxy)phenyl]- N-(3-methyl-1,1-dio...)
Show SMILES CC[C@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323668
PNG
(N-((S)-2,3-dihydro-1H- inden-1-yl)-2-((R)-3-(2- et...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C27H30N4O3/c1-2-33-24-11-5-6-12-25(24)34-21-9-7-15-31(18-21)27-28-16-20(17-29-27)26(32)30-23-14-13-19-8-3-4-10-22(19)23/h3-6,8,10-12,16-17,21,23H,2,7,9,13-15,18H2,1H3,(H,30,32)/t21-,23+/m1/s1
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US10188653 (2019)


BindingDB Entry DOI: 10.7270/Q28G8NS4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530640
PNG
(WO2022076495, EXAMPLE 75a)
Show SMILES C[C@H](n1c2cc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(F)cc2n(-c2cc(OCC(F)F)ccc2F)c1=O)C(C)(C)O |r,wU:1.0,(.14,1.73,;1.65,1.41,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;10.79,-1.21,;9.27,1.42,;9.8,2.86,;11.31,3.13,;10.79,4.58,;12.65,3.9,;12.3,1.95,;11.78,.5,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-5.41,-4.15,;-4.85,-6.76,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.22,-1.3,;-.32,-1.3,;2.68,2.55,;4.19,2.23,;3.16,1.09,;2.2,4.02,)|
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TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50594462
PNG
(CHEMBL5194578)
Show SMILES CC(n1c2cc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(F)cc2n(-c2cc(OCC(F)F)ccc2F)c1=O)C(C)(C)O |(1.89,-4.44,;2.91,-3.29,;2.43,-1.83,;.96,-1.37,;-.38,-2.14,;-1.72,-1.37,;-3.05,-2.14,;-3.05,-3.68,;-4.38,-1.37,;-5.72,-2.14,;-6.13,-.65,;-7.05,-1.36,;-8.38,-2.12,;-8.4,-3.66,;-9.18,-4.99,;-9.94,-3.65,;-7.06,-4.43,;-5.72,-3.67,;-1.71,.17,;-3.05,.94,;-.38,.94,;.95,.18,;2.41,.66,;2.88,2.12,;4.39,2.45,;4.86,3.92,;6.36,4.24,;7.4,3.1,;8.9,3.43,;9.94,2.29,;9.37,4.9,;3.82,5.06,;2.31,4.72,;1.85,3.25,;.34,2.92,;3.33,-.58,;4.87,-.57,;4.41,-3.59,;4.9,-5.06,;5.44,-2.44,;5.9,-3.99,)|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00247
BindingDB Entry DOI: 10.7270/Q2V128TJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323668
PNG
(N-((S)-2,3-dihydro-1H- inden-1-yl)-2-((R)-3-(2- et...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C27H30N4O3/c1-2-33-24-11-5-6-12-25(24)34-21-9-7-15-31(18-21)27-28-16-20(17-29-27)26(32)30-23-14-13-19-8-3-4-10-22(19)23/h3-6,8,10-12,16-17,21,23H,2,7,9,13-15,18H2,1H3,(H,30,32)/t21-,23+/m1/s1
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US9789110 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N81
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627228
PNG
(3-[3-(difluoromethoxy)phenyl]- N-(3-methyl-1,1-dio...)
Show SMILES CC[C@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM517325
PNG
(3-[3- (difluoromethoxy)phenyl]- 1-(4-fluorophenyl)...)
Show SMILES C[C@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(nn(-c3ccc(F)cc3)c2c1)-c1cccc(OC(F)F)c1 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP497K
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486387
PNG
(3-(3-(difluoromethoxy)phenyl)-N-(1,1- dioxidotetra...)
Show SMILES FC(F)Oc1cccc(c1)-c1cn(-c2ncc(F)cn2)c2cc(ccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 |r|
Show InChI InChI=1S/C24H19F3N4O4S/c25-16-10-28-24(29-11-16)31-12-20(14-2-1-3-18(8-14)35-23(26)27)19-5-4-15(9-21(19)31)22(32)30-17-6-7-36(33,34)13-17/h1-5,8-12,17,23H,6-7,13H2,(H,30,32)/t17-/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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530624
PNG
(WO2022076495, EXAMPLE 67a)
Show SMILES C[C@H](n1c2cc(ccc2n(-c2cccc(OC(F)F)c2)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50594460
PNG
(CHEMBL5188169)
Show SMILES CC(n1c2cc(ccc2n(-c2cccc(OC(F)F)c2)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00247
BindingDB Entry DOI: 10.7270/Q2V128TJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627185
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2cnc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486385
PNG
(3-(3-(difluoromethoxy)phenyl)-1-(5- fluoropyrimidi...)
Show SMILES C[C@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(cn(-c3ncc(F)cn3)c2c1)-c1cccc(OC(F)F)c1 |r|
Show InChI InChI=1S/C25H21F3N4O4S/c1-25(7-8-37(34,35)14-25)31-22(33)16-5-6-19-20(15-3-2-4-18(9-15)36-23(27)28)13-32(21(19)10-16)24-29-11-17(26)12-30-24/h2-6,9-13,23H,7-8,14H2,1H3,(H,31,33)/t25-/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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM215446
PNG
(US9296745, 1)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
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n/an/a 1.70n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 uL. To 1 uL of c...


US Patent US9296745 (2016)


BindingDB Entry DOI: 10.7270/Q25719VW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM274961
PNG
(US9877957, Example 1)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)C2CCN(CC2)c2ccc(cc2)C(F)(F)F)c2CN(CCc12)C(=O)NC(C)(C)C
Show InChI InChI=1S/C36H41F3N4O4/c1-35(2,3)41-34(46)43-19-16-30-29(24-6-5-7-25(20-24)33(45)47-4)13-8-26(31(30)22-43)21-40-32(44)23-14-17-42(18-15-23)28-11-9-27(10-12-28)36(37,38)39/h5-13,20,23H,14-19,21-22H2,1-4H3,(H,40,44)(H,41,46)
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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 US9877957 (2018)


BindingDB Entry DOI: 10.7270/Q2Z60R2C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530556
PNG
(1-(3-(difluoromethoxy)phenyl)-3-(4-fluorophenyl)-A...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1ccc2n(-c3cccc(OC(F)F)c3)c(=O)n(-c3ccc(F)cc3)c2c1
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TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM486377
PNG
(3-(3-(difluoromethoxy)phenyl)-N-(1,1- dioxidotetra...)
Show SMILES FC(F)Oc1cccc(c1)-c1cn(-c2ccc(F)cn2)c2cc(ccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 |r|
Show InChI InChI=1S/C25H20F3N3O4S/c26-17-5-7-23(29-12-17)31-13-21(15-2-1-3-19(10-15)35-25(27)28)20-6-4-16(11-22(20)31)24(32)30-18-8-9-36(33,34)14-18/h1-7,10-13,18,25H,8-9,14H2,(H,30,32)/t18-/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 US10947222 (2021)


BindingDB Entry DOI: 10.7270/Q20P134X
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530627
PNG
(WO2022076495, EXAMPLE 68b)
Show SMILES C[C@@H](n1c2cc(ccc2n(-c2cccc(OCC(F)F)c2)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O |r|
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TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530556
PNG
(1-(3-(difluoromethoxy)phenyl)-3-(4-fluorophenyl)-A...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1ccc2n(-c3cccc(OC(F)F)c3)c(=O)n(-c3ccc(F)cc3)c2c1
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00247
BindingDB Entry DOI: 10.7270/Q2V128TJ
More data for this
Ligand-Target Pair
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