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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'kandre' and Initial = 's'   
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))
BDBM50436848
PNG
(CHEMBL2403617)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H19FN4O3S2/c1-11(2)18(21(29)30)27-19(28)20-24-10-17(31-20)12-3-6-14(7-4-12)25-22-26-15-8-5-13(23)9-16(15)32-22/h3-11,18H,1-2H3,(H,25,26)(H,27,28)(H,29,30)/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354642
PNG
(CHEMBL1834204)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)cn1)C(O)=O |r|
Show InChI InChI=1S/C24H22F2N4O4/c1-13(2)21(23(32)33)30-22(31)15-5-3-14(4-6-15)19-10-8-17(12-27-19)28-24(34)29-20-9-7-16(25)11-18(20)26/h3-13,21H,1-2H3,(H,30,31)(H,32,33)(H2,28,29,34)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354637
PNG
(CHEMBL1834440)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2F)cn1)C(O)=O |r|
Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-9-7-15(8-10-16)19-12-11-17(13-26-19)27-24(33)28-20-6-4-3-5-18(20)25/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005651
PNG
(CHEMBL3235427)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2F)cc1 |r,wU:6.9,wD:3.2,(47.51,-36.67,;46.7,-37.98,;47.43,-39.33,;45.16,-37.93,;44.43,-36.57,;42.89,-36.52,;42.09,-37.83,;42.81,-39.19,;44.35,-39.24,;40.55,-37.79,;39.74,-39.1,;40.47,-40.46,;38.2,-39.06,;37.33,-37.79,;35.85,-38.22,;35.81,-39.76,;37.26,-40.28,;34.54,-40.64,;33.21,-39.88,;31.88,-40.65,;31.88,-42.19,;30.54,-42.96,;29.21,-42.19,;29.21,-40.65,;27.87,-42.96,;26.54,-42.19,;26.55,-40.64,;25.22,-39.87,;23.88,-40.64,;23.89,-42.19,;25.22,-42.95,;25.22,-44.49,;33.21,-42.96,;34.55,-42.19,)|
Show InChI InChI=1S/C24H23FN4O4S/c25-18-3-1-2-4-19(18)29-24(33)28-17-9-5-14(6-10-17)20-13-26-22(34-20)21(30)27-16-11-7-15(8-12-16)23(31)32/h1-6,9-10,13,15-16H,7-8,11-12H2,(H,27,30)(H,31,32)(H2,28,29,33)/t15-,16-
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n/an/a 15n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436846
PNG
(CHEMBL2403620)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H21ClN4O4S/c1-12(2)18(21(29)30)27-19(28)20-24-11-17(32-20)13-7-9-14(10-8-13)25-22(31)26-16-6-4-3-5-15(16)23/h3-12,18H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/t18-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354639
PNG
(CHEMBL1834201)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cn1)C(O)=O |r|
Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-5-3-15(4-6-16)20-12-11-19(13-26-20)28-24(33)27-18-9-7-17(25)8-10-18/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354638
PNG
(CHEMBL1834200)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cn1)C(O)=O |r|
Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-8-6-15(7-9-16)20-11-10-19(13-26-20)28-24(33)27-18-5-3-4-17(25)12-18/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM20716
PNG
((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells assessed as formation of didecanoylglycerol product after 1 hr using 14C-decanoyl-CoA by beta scinti...


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM20716
PNG
((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1
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Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436845
PNG
(CHEMBL2403621)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H26N4O4S/c1-13(2)20(23(30)31)28-21(29)22-25-12-19(33-22)16-6-9-17(10-7-16)26-24(32)27-18-8-5-14(3)15(4)11-18/h5-13,20H,1-4H3,(H,28,29)(H,30,31)(H2,26,27,32)/t20-/m0/s1
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Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005652
PNG
(CHEMBL3235428)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1 |r,wU:6.9,wD:3.2,(70.47,-38.11,;69.66,-39.41,;70.39,-40.77,;68.12,-39.37,;67.39,-38.01,;65.84,-37.96,;65.05,-39.27,;65.77,-40.63,;67.3,-40.67,;63.51,-39.23,;62.7,-40.54,;63.43,-41.9,;61.16,-40.5,;60.29,-39.23,;58.81,-39.66,;58.77,-41.2,;60.22,-41.72,;57.5,-42.08,;56.17,-41.31,;54.84,-42.08,;54.83,-43.63,;53.5,-44.4,;52.17,-43.63,;52.17,-42.09,;50.83,-44.4,;49.5,-43.62,;49.51,-42.08,;48.18,-41.31,;46.84,-42.08,;46.85,-43.63,;48.18,-44.39,;48.18,-45.93,;56.17,-44.4,;57.51,-43.63,)|
Show InChI InChI=1S/C24H23ClN4O4S/c25-18-3-1-2-4-19(18)29-24(33)28-17-9-5-14(6-10-17)20-13-26-22(34-20)21(30)27-16-11-7-15(8-12-16)23(31)32/h1-6,9-10,13,15-16H,7-8,11-12H2,(H,27,30)(H,31,32)(H2,28,29,33)/t15-,16-
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VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436847
PNG
(CHEMBL2403619)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O4S/c1-12(2)18(21(32)33)30-19(31)20-27-11-17(35-20)13-6-8-15(9-7-13)28-22(34)29-16-5-3-4-14(10-16)23(24,25)26/h3-12,18H,1-2H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436842
PNG
(CHEMBL2403624)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H29N3O4S/c1-15(2)21(25(32)33)29-23(31)24-27-14-20(34-24)16-8-12-19(13-9-16)28-22(30)17-6-10-18(11-7-17)26(3,4)5/h6-15,21H,1-5H3,(H,28,30)(H,29,31)(H,32,33)/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436844
PNG
(CHEMBL2403622)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H26N4O5S/c1-17(2)24(27(34)35)32-25(33)26-29-16-23(38-26)18-12-14-19(15-13-18)30-28(36)31-21-10-6-7-11-22(21)37-20-8-4-3-5-9-20/h3-17,24H,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)/t24-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354641
PNG
(CHEMBL1834203)
Show SMILES COc1ccc(NC(=O)Nc2ccc(nc2)-c2ccc(cc2)C(=O)N[C@@H](C(C)C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H26N4O5/c1-15(2)22(24(31)32)29-23(30)17-6-4-16(5-7-17)21-13-10-19(14-26-21)28-25(33)27-18-8-11-20(34-3)12-9-18/h4-15,22H,1-3H3,(H,29,30)(H,31,32)(H2,27,28,33)/t22-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005654
PNG
(CHEMBL3235430)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cc(F)c(F)cc2F)cc1 |r,wU:6.9,wD:3.2,(48.29,-50.11,;47.48,-51.42,;48.2,-52.78,;45.94,-51.37,;45.21,-50.02,;43.66,-49.97,;42.86,-51.28,;43.59,-52.64,;45.12,-52.68,;41.33,-51.24,;40.52,-52.55,;41.25,-53.9,;38.98,-52.51,;38.11,-51.24,;36.63,-51.67,;36.59,-53.21,;38.04,-53.73,;35.32,-54.09,;33.98,-53.32,;32.66,-54.09,;32.65,-55.64,;31.32,-56.41,;29.99,-55.64,;29.99,-54.1,;28.65,-56.4,;27.32,-55.63,;27.33,-54.09,;26,-53.32,;26,-51.78,;24.66,-54.09,;23.33,-53.32,;24.67,-55.64,;26,-56.4,;26,-57.94,;33.99,-56.41,;35.32,-55.64,)|
Show InChI InChI=1S/C24H21F3N4O4S/c25-16-9-18(27)19(10-17(16)26)31-24(35)30-15-5-1-12(2-6-15)20-11-28-22(36-20)21(32)29-14-7-3-13(4-8-14)23(33)34/h1-2,5-6,9-11,13-14H,3-4,7-8H2,(H,29,32)(H,33,34)(H2,30,31,35)/t13-,14-
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n/an/a 26n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354631
PNG
(CHEMBL1834433)
Show SMILES OC[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r|
Show InChI InChI=1S/C22H20N4O5/c27-13-18(21(29)30)25-20(28)15-8-6-14(7-9-15)16-10-11-19(23-12-16)26-22(31)24-17-4-2-1-3-5-17/h1-12,18,27H,13H2,(H,25,28)(H,29,30)(H2,23,24,26,31)/t18-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354629
PNG
(CHEMBL1834431)
Show SMILES OC(=O)CNC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1
Show InChI InChI=1S/C21H18N4O4/c26-19(27)13-23-20(28)15-8-6-14(7-9-15)16-10-11-18(22-12-16)25-21(29)24-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,28)(H,26,27)(H2,22,24,25,29)
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n/an/a 30n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354634
PNG
(CHEMBL1834436)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r|
Show InChI InChI=1S/C25H26N4O4/c1-16(2)14-21(24(31)32)28-23(30)18-10-8-17(9-11-18)19-12-13-22(26-15-19)29-25(33)27-20-6-4-3-5-7-20/h3-13,15-16,21H,14H2,1-2H3,(H,28,30)(H,31,32)(H2,26,27,29,33)/t21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005649
PNG
(CHEMBL3235425)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 |r,wU:6.9,wD:3.2,(47.51,-36.67,;46.7,-37.98,;47.43,-39.33,;45.16,-37.93,;44.43,-36.57,;42.89,-36.52,;42.09,-37.83,;42.81,-39.19,;44.35,-39.24,;40.55,-37.79,;39.74,-39.1,;40.47,-40.46,;38.2,-39.06,;37.33,-37.79,;35.85,-38.22,;35.81,-39.76,;37.26,-40.28,;34.54,-40.64,;33.21,-39.88,;31.88,-40.65,;31.88,-42.19,;30.54,-42.96,;29.21,-42.19,;29.21,-40.65,;27.87,-42.96,;26.54,-42.19,;25.22,-42.95,;23.89,-42.19,;22.54,-42.97,;23.88,-40.64,;25.22,-39.87,;25.22,-38.32,;26.55,-40.64,;33.21,-42.96,;34.55,-42.19,)|
Show InChI InChI=1S/C24H22F2N4O4S/c25-15-9-16(26)11-19(10-15)30-24(34)29-18-5-1-13(2-6-18)20-12-27-22(35-20)21(31)28-17-7-3-14(4-8-17)23(32)33/h1-2,5-6,9-12,14,17H,3-4,7-8H2,(H,28,31)(H,32,33)(H2,29,30,34)/t14-,17-
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n/an/a 34n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50386149
PNG
(CHEMBL2042351)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22FN3O3S/c1-14(2)22(24(31)32)29-23(30)17-5-3-15(4-6-17)16-7-10-19(11-8-16)27-25-28-20-12-9-18(26)13-21(20)33-25/h3-14,22H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436841
PNG
(CHEMBL2403625)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)CCC2CCCCC2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N3O4S/c1-15(2)21(24(30)31)27-22(29)23-25-14-19(32-23)17-9-11-18(12-10-17)26-20(28)13-8-16-6-4-3-5-7-16/h9-12,14-16,21H,3-8,13H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t21-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005653
PNG
(CHEMBL3235429)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 |r,wU:6.9,wD:3.2,(25.13,-47.8,;24.31,-49.11,;25.04,-50.47,;22.78,-49.06,;22.05,-47.71,;20.5,-47.66,;19.7,-48.97,;20.43,-50.33,;21.96,-50.37,;18.16,-48.93,;17.36,-50.24,;18.09,-51.59,;15.82,-50.2,;14.95,-48.93,;13.47,-49.36,;13.43,-50.9,;14.88,-51.42,;12.16,-51.78,;10.82,-51.01,;9.49,-51.78,;9.49,-53.33,;8.16,-54.1,;6.82,-53.33,;6.83,-51.79,;5.49,-54.09,;4.16,-53.32,;4.17,-51.78,;2.84,-51.01,;1.5,-51.78,;.17,-51.01,;1.5,-53.33,;2.84,-54.09,;2.84,-55.63,;10.83,-54.1,;12.16,-53.33,)|
Show InChI InChI=1S/C24H22F2N4O4S/c25-15-5-10-19(18(26)11-15)30-24(34)29-17-6-1-13(2-7-17)20-12-27-22(35-20)21(31)28-16-8-3-14(4-9-16)23(32)33/h1-2,5-7,10-12,14,16H,3-4,8-9H2,(H,28,31)(H,32,33)(H2,29,30,34)/t14-,16-
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n/an/a 39n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436839
PNG
(CHEMBL2403627)
Show SMILES CCCCc1ccc(nc1)C(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H28N4O4S/c1-4-5-6-16-7-12-19(26-13-16)22(30)28-18-10-8-17(9-11-18)20-14-27-24(34-20)23(31)29-21(15(2)3)25(32)33/h7-15,21H,4-6H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)/t21-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354633
PNG
(CHEMBL1834435)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r|
Show InChI InChI=1S/C24H24N4O4/c1-15(2)21(23(30)31)28-22(29)17-10-8-16(9-11-17)18-12-13-20(25-14-18)27-24(32)26-19-6-4-3-5-7-19/h3-15,21H,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27,32)/t21-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005655
PNG
(CHEMBL3235431)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r,wU:6.9,wD:3.2,(71.08,-51.02,;70.26,-52.33,;70.99,-53.69,;68.73,-52.28,;68,-50.93,;66.45,-50.88,;65.65,-52.19,;66.38,-53.55,;67.91,-53.59,;64.11,-52.15,;63.31,-53.46,;64.04,-54.81,;61.77,-53.42,;60.9,-52.15,;59.42,-52.58,;59.38,-54.12,;60.83,-54.64,;58.11,-55,;56.77,-54.23,;55.44,-55,;55.44,-56.55,;54.11,-57.32,;52.77,-56.55,;52.78,-55.01,;51.44,-57.31,;50.11,-56.54,;50.12,-55,;48.79,-54.23,;47.45,-55,;47.45,-56.55,;48.79,-57.31,;56.78,-57.32,;58.11,-56.55,)|
Show InChI InChI=1S/C24H24N4O4S/c29-21(26-18-12-8-16(9-13-18)23(30)31)22-25-14-20(33-22)15-6-10-19(11-7-15)28-24(32)27-17-4-2-1-3-5-17/h1-7,10-11,14,16,18H,8-9,12-13H2,(H,26,29)(H,30,31)(H2,27,28,32)/t16-,18-
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n/an/a 55n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354636
PNG
(CHEMBL1834438)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)nc1)C(O)=O |r|
Show InChI InChI=1S/C24H22F2N4O4/c1-13(2)21(23(32)33)30-22(31)15-5-3-14(4-6-15)16-7-10-20(27-12-16)29-24(34)28-19-9-8-17(25)11-18(19)26/h3-13,21H,1-2H3,(H,30,31)(H,32,33)(H2,27,28,29,34)/t21-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436843
PNG
(CHEMBL2403623)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2Oc2ccccc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H25ClN4O5S/c1-16(2)24(27(35)36)33-25(34)26-30-15-23(39-26)17-8-11-19(12-9-17)31-28(37)32-21-13-10-18(29)14-22(21)38-20-6-4-3-5-7-20/h3-16,24H,1-2H3,(H,33,34)(H,35,36)(H2,31,32,37)/t24-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354640
PNG
(CHEMBL1834202)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2OC(F)(F)F)cn1)C(O)=O |r|
Show InChI InChI=1S/C25H23F3N4O5/c1-14(2)21(23(34)35)32-22(33)16-9-7-15(8-10-16)18-12-11-17(13-29-18)30-24(36)31-19-5-3-4-6-20(19)37-25(26,27)28/h3-14,21H,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)/t21-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354630
PNG
(CHEMBL1834432)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r|
Show InChI InChI=1S/C22H20N4O4/c1-14(21(28)29)24-20(27)16-9-7-15(8-10-16)17-11-12-19(23-13-17)26-22(30)25-18-5-3-2-4-6-18/h2-14H,1H3,(H,24,27)(H,28,29)(H2,23,25,26,30)/t14-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354643
PNG
(CHEMBL1834206)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
Show InChI InChI=1S/C26H20F2N2O3S/c27-17-9-11-22-23(13-17)34-26(30-22)29-21-10-8-16(12-20(21)28)14-4-6-15(7-5-14)24(31)18-2-1-3-19(18)25(32)33/h4-13,18-19H,1-3H2,(H,29,30)(H,32,33)/t18-,19-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 (unknown origin)


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005647
PNG
(CHEMBL3235422)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1 |r,wU:6.9,wD:3.2,(28.27,-23.6,;27.46,-24.91,;28.18,-26.27,;25.92,-24.86,;25.19,-23.5,;23.64,-23.45,;22.84,-24.77,;23.57,-26.12,;25.1,-26.17,;21.31,-24.72,;20.5,-26.04,;21.23,-27.39,;18.96,-25.99,;18.09,-24.72,;16.61,-25.16,;16.57,-26.7,;18.02,-27.21,;15.3,-27.57,;13.96,-26.81,;12.64,-27.58,;12.63,-29.12,;11.3,-29.89,;9.97,-29.12,;9.97,-27.58,;8.51,-29.61,;7.25,-28.72,;6.01,-29.63,;6.5,-31.09,;8.04,-31.08,;8.96,-32.32,;8.34,-33.73,;10.49,-32.14,;9.71,-33.65,;4.55,-29.18,;4.22,-27.67,;2.75,-27.21,;1.61,-28.25,;1.95,-29.76,;3.42,-30.21,;13.97,-29.89,;15.31,-29.12,)|
Show InChI InChI=1S/C28H23F3N4O5S/c29-28(30,31)22-21(35-25(40-22)16-4-2-1-3-5-16)23(36)33-18-10-6-15(7-11-18)20-14-32-26(41-20)24(37)34-19-12-8-17(9-13-19)27(38)39/h1-7,10-11,14,17,19H,8-9,12-13H2,(H,33,36)(H,34,37)(H,38,39)/t17-,19-
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n/an/a 73n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354643
PNG
(CHEMBL1834206)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
Show InChI InChI=1S/C26H20F2N2O3S/c27-17-9-11-22-23(13-17)34-26(30-22)29-21-10-8-16(12-20(21)28)14-4-6-15(7-5-14)24(31)18-2-1-3-19(18)25(32)33/h4-13,18-19H,1-3H2,(H,29,30)(H,32,33)/t18-,19-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells assessed as formation of didecanoylglycerol product after 1 hr using 14C-decanoyl-CoA by beta scinti...


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005648
PNG
(CHEMBL3235423)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 |r,wU:6.9,wD:3.2,(51.34,-23.3,;50.53,-24.61,;51.25,-25.96,;48.99,-24.56,;48.26,-23.2,;46.71,-23.15,;45.91,-24.46,;46.64,-25.82,;48.17,-25.87,;44.37,-24.42,;43.57,-25.73,;44.3,-27.09,;42.03,-25.69,;41.16,-24.42,;39.68,-24.86,;39.64,-26.39,;41.09,-26.91,;38.37,-27.27,;37.03,-26.51,;35.7,-27.28,;35.7,-28.82,;34.37,-29.59,;33.03,-28.82,;33.04,-27.28,;31.7,-29.59,;31.7,-31.12,;30.38,-31.89,;30.38,-33.43,;29.03,-31.12,;29.04,-29.58,;27.7,-28.81,;30.37,-28.81,;37.04,-29.59,;38.37,-28.82,)|
Show InChI InChI=1S/C24H21F2N3O4S/c25-16-9-15(10-17(26)11-16)21(30)28-18-5-1-13(2-6-18)20-12-27-23(34-20)22(31)29-19-7-3-14(4-8-19)24(32)33/h1-2,5-6,9-12,14,19H,3-4,7-8H2,(H,28,30)(H,29,31)(H,32,33)/t14-,19-
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n/an/a 76n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436840
PNG
(CHEMBL2403626)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H25F2N3O4S/c1-12(2)17(21(30)31)27-19(29)20-25-11-16(32-20)13-3-5-15(6-4-13)26-18(28)14-7-9-22(23,24)10-8-14/h3-6,11-12,14,17H,7-10H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t17-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354632
PNG
(CHEMBL1834434)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r|
Show InChI InChI=1S/C24H24N4O4/c1-15(2)21(23(30)31)28-22(29)17-10-8-16(9-11-17)18-12-13-20(25-14-18)27-24(32)26-19-6-4-3-5-7-19/h3-15,21H,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27,32)/t21-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436838
PNG
(CHEMBL2403628)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C#N)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26N4O4S/c1-15(2)21(25(33)34)30-23(32)24-28-13-20(35-24)16-7-11-19(12-8-16)29-22(31)17-5-9-18(10-6-17)26(3,4)14-27/h5-13,15,21H,1-4H3,(H,29,31)(H,30,32)(H,33,34)/t21-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354635
PNG
(CHEMBL1834437)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2)nc1)C(O)=O |r|
Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-5-3-15(4-6-16)17-7-12-20(26-13-17)28-24(33)27-19-10-8-18(25)9-11-19/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,26,27,28,33)/t21-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting


Bioorg Med Chem Lett 21: 5812-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.109
BindingDB Entry DOI: 10.7270/Q28G8M29
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436837
PNG
(CHEMBL2403629)
Show SMILES CCC(CC)(C#N)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C28H30N4O4S/c1-5-28(6-2,16-29)20-11-7-19(8-12-20)24(33)31-21-13-9-18(10-14-21)22-15-30-26(37-22)25(34)32-23(17(3)4)27(35)36/h7-15,17,23H,5-6H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t23-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50341782
PNG
(4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carb...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)|
Show InChI InChI=1S/C30H30F3N3O5/c31-30(32,33)25-24(35-27(41-25)20-4-2-1-3-5-20)26(37)34-23-12-10-18(11-13-23)19-14-16-36(17-15-19)28(38)21-6-8-22(9-7-21)29(39)40/h1-5,10-13,19,21-22H,6-9,14-17H2,(H,34,37)(H,39,40)/t21-,22-
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n/an/a 114n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005650
PNG
(CHEMBL3235426)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:26.28,wD:29.35,(1.32,-43.95,;2.65,-43.18,;2.64,-41.64,;1.31,-40.88,;1.31,-39.33,;2.64,-38.56,;3.97,-39.33,;3.96,-40.87,;5.3,-41.64,;6.63,-40.87,;6.63,-39.33,;7.96,-41.64,;9.3,-40.88,;9.3,-39.33,;10.63,-38.56,;11.96,-39.32,;11.97,-40.87,;10.63,-41.65,;13.23,-38.45,;13.28,-36.91,;14.75,-36.47,;15.62,-37.75,;14.68,-38.97,;17.16,-37.79,;17.9,-39.14,;17.97,-36.48,;19.51,-36.52,;20.31,-35.21,;21.85,-35.26,;22.58,-36.61,;21.77,-37.92,;20.23,-37.88,;24.12,-36.66,;24.93,-35.35,;24.85,-38.02,)|
Show InChI InChI=1S/C25H26N4O5S/c1-34-20-5-3-2-4-19(20)29-25(33)28-18-10-6-15(7-11-18)21-14-26-23(35-21)22(30)27-17-12-8-16(9-13-17)24(31)32/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,17-
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n/an/a 150n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386129
PNG
(CHEMBL2042217)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20ClFN4O5/c1-11(2)19(21(30)31)27-20(29)18-10-17(28-33-18)12-3-6-14(7-4-12)25-22(32)26-16-8-5-13(23)9-15(16)24/h3-11,19H,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t19-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386149
PNG
(CHEMBL2042351)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22FN3O3S/c1-14(2)22(24(31)32)29-23(30)17-5-3-15(4-6-17)16-7-10-19(11-8-16)27-25-28-20-12-9-18(26)13-21(20)33-25/h3-14,22H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386120
PNG
(CHEMBL2042201)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H21ClN4O5/c1-12(2)19(21(29)30)26-20(28)18-11-17(27-32-18)13-7-9-14(10-8-13)24-22(31)25-16-6-4-3-5-15(16)23/h3-12,19H,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386126
PNG
(CHEMBL2042213)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H26N4O5/c1-13(2)21(23(30)31)27-22(29)20-12-19(28-33-20)16-6-9-17(10-7-16)25-24(32)26-18-8-5-14(3)15(4)11-18/h5-13,21H,1-4H3,(H,27,29)(H,30,31)(H2,25,26,32)/t21-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386122
PNG
(CHEMBL2042204)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H21ClN4O5/c1-12(2)19(21(29)30)26-20(28)18-11-17(27-32-18)13-6-8-15(9-7-13)24-22(31)25-16-5-3-4-14(23)10-16/h3-12,19H,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386136
PNG
(CHEMBL2042338)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H24N4O5/c1-13(2)20(22(29)30)26-21(28)19-12-18(27-32-19)15-7-9-16(10-8-15)24-23(31)25-17-6-4-5-14(3)11-17/h4-13,20H,1-3H3,(H,26,28)(H,29,30)(H2,24,25,31)/t20-/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386145
PNG
(CHEMBL2042347)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H23FN4O5/c1-12(2)20(22(30)31)27-21(29)19-11-17(28-33-19)14-5-7-15(8-6-14)25-23(32)26-18-10-13(3)4-9-16(18)24/h4-12,20H,1-3H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386137
PNG
(CHEMBL2042339)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O5/c1-12(2)19(21(32)33)29-20(31)18-11-17(30-35-18)13-7-9-14(10-8-13)27-22(34)28-16-6-4-3-5-15(16)23(24,25)26/h3-12,19H,1-2H3,(H,29,31)(H,32,33)(H2,27,28,34)/t19-/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))
BDBM50386131
PNG
(CHEMBL2042221)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H21FN4O5/c1-12(2)19(21(29)30)26-20(28)18-11-17(27-32-18)13-3-7-15(8-4-13)24-22(31)25-16-9-5-14(23)6-10-16/h3-12,19H,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting


Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair
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