Found 52 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380043
(CHEMBL2012612)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCC2)s1 |r,wU:7.10,wD:4.3,(43.94,-23.77,;42.4,-23.79,;41.65,-25.13,;41.61,-22.47,;40.07,-22.48,;39.28,-21.16,;37.74,-21.18,;36.99,-22.53,;37.78,-23.85,;39.31,-23.83,;35.46,-22.54,;34.68,-21.23,;33.14,-21.25,;32.39,-22.58,;33.17,-23.9,;34.71,-23.89,;30.85,-22.6,;30.07,-21.27,;30.1,-23.94,;28.56,-23.96,;27.64,-22.72,;26.18,-23.21,;26.19,-24.76,;24.85,-25.51,;23.53,-24.73,;22.3,-25.65,;20.82,-25.21,;19.94,-26.47,;20.87,-27.7,;22.32,-27.2,;27.66,-25.22,)| Show InChI InChI=1S/C24H31N3O3S/c28-22(29)15-17-5-8-18(9-6-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-7-16-3-1-2-4-16/h10-13,16-18H,1-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18- | PDB
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380043
(CHEMBL2012612)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCC2)s1 |r,wU:7.10,wD:4.3,(43.94,-23.77,;42.4,-23.79,;41.65,-25.13,;41.61,-22.47,;40.07,-22.48,;39.28,-21.16,;37.74,-21.18,;36.99,-22.53,;37.78,-23.85,;39.31,-23.83,;35.46,-22.54,;34.68,-21.23,;33.14,-21.25,;32.39,-22.58,;33.17,-23.9,;34.71,-23.89,;30.85,-22.6,;30.07,-21.27,;30.1,-23.94,;28.56,-23.96,;27.64,-22.72,;26.18,-23.21,;26.19,-24.76,;24.85,-25.51,;23.53,-24.73,;22.3,-25.65,;20.82,-25.21,;19.94,-26.47,;20.87,-27.7,;22.32,-27.2,;27.66,-25.22,)| Show InChI InChI=1S/C24H31N3O3S/c28-22(29)15-17-5-8-18(9-6-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-7-16-3-1-2-4-16/h10-13,16-18H,1-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18- | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380044
(CHEMBL2012614)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CC2CCCC2)s1 |r,wU:7.10,wD:4.3,(41.54,-33.26,;40,-33.28,;39.25,-34.62,;39.22,-31.95,;37.68,-31.97,;36.89,-30.65,;35.35,-30.67,;34.6,-32.02,;35.38,-33.34,;36.92,-33.32,;33.07,-32.03,;32.28,-30.72,;30.75,-30.74,;30,-32.07,;30.77,-33.39,;32.32,-33.37,;28.46,-32.09,;27.67,-30.76,;27.7,-33.43,;26.16,-33.45,;25.24,-32.21,;23.78,-32.7,;23.8,-34.24,;22.46,-35,;21.24,-34.06,;21.28,-32.52,;19.83,-32,;18.89,-33.22,;19.76,-34.49,;25.27,-34.7,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-15-3-1-2-4-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380045
(CHEMBL2012625)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:4.3,wD:7.10,(15.69,-16.29,;14.15,-16.31,;13.4,-17.65,;13.37,-14.98,;11.83,-15,;11.06,-16.35,;9.53,-16.36,;8.75,-15.04,;9.49,-13.7,;11.03,-13.68,;7.21,-15.06,;6.42,-13.75,;4.89,-13.77,;4.14,-15.1,;4.91,-16.42,;6.46,-16.4,;2.6,-15.12,;1.81,-13.79,;1.84,-16.46,;.3,-16.47,;-.62,-15.25,;-2.08,-15.73,;-2.06,-17.28,;-3.41,-18.03,;-4.73,-17.25,;-4.71,-15.71,;-6.04,-14.92,;-7.38,-15.68,;-7.39,-17.23,;-6.07,-18,;-.59,-17.73,)| Show InChI InChI=1S/C24H25N3O3S/c28-22(29)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18- | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380041
(CHEMBL2012633)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Cc3ccccc3)s2)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O3S/c1-17(2)24(26(33)34)29-25(32)21-10-8-19(9-11-21)20-12-14-22(15-13-20)28-27-31-30-23(35-27)16-18-6-4-3-5-7-18/h3-15,17,24H,16H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)/t24-/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380047
(CHEMBL2012631)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 |r,wU:7.10,wD:4.3,(44.73,-17.98,;43.19,-18,;42.43,-19.34,;42.4,-16.67,;40.86,-16.69,;40.07,-15.37,;38.53,-15.39,;37.78,-16.74,;38.57,-18.05,;40.1,-18.04,;36.25,-16.75,;35.47,-15.43,;33.93,-15.46,;33.18,-16.79,;33.96,-18.11,;35.5,-18.09,;31.64,-16.81,;30.86,-15.48,;30.88,-18.15,;29.34,-18.16,;28.42,-16.93,;26.96,-17.42,;26.98,-18.96,;25.64,-19.72,;24.31,-18.93,;24.33,-17.39,;23.01,-16.61,;21.67,-17.36,;21.66,-18.91,;20.32,-19.67,;22.98,-19.69,;28.45,-19.42,)| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380046
(CHEMBL2012628)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 |r,wU:7.10,wD:4.3,(15.26,-9.38,;13.72,-9.4,;12.97,-10.74,;12.94,-8.08,;11.4,-8.1,;10.61,-6.77,;9.07,-6.79,;8.32,-8.14,;9.1,-9.46,;10.64,-9.44,;6.78,-8.16,;6,-6.84,;4.46,-6.86,;3.72,-8.19,;4.49,-9.51,;6.04,-9.5,;2.18,-8.21,;1.39,-6.88,;1.42,-9.55,;-.12,-9.57,;-1.04,-8.33,;-2.5,-8.83,;-2.48,-10.37,;-3.83,-11.12,;-5.15,-10.34,;-6.48,-11.09,;-7.81,-10.32,;-7.8,-8.77,;-6.45,-8.01,;-6.44,-6.47,;-5.13,-8.8,;-1.01,-10.83,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380044
(CHEMBL2012614)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CC2CCCC2)s1 |r,wU:7.10,wD:4.3,(41.54,-33.26,;40,-33.28,;39.25,-34.62,;39.22,-31.95,;37.68,-31.97,;36.89,-30.65,;35.35,-30.67,;34.6,-32.02,;35.38,-33.34,;36.92,-33.32,;33.07,-32.03,;32.28,-30.72,;30.75,-30.74,;30,-32.07,;30.77,-33.39,;32.32,-33.37,;28.46,-32.09,;27.67,-30.76,;27.7,-33.43,;26.16,-33.45,;25.24,-32.21,;23.78,-32.7,;23.8,-34.24,;22.46,-35,;21.24,-34.06,;21.28,-32.52,;19.83,-32,;18.89,-33.22,;19.76,-34.49,;25.27,-34.7,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-15-3-1-2-4-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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| CHEMBL
PC cid
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380048
(CHEMBL2012629)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 |r,wU:7.10,wD:4.3,(42.15,-8.67,;40.61,-8.69,;39.86,-10.04,;39.82,-7.37,;38.28,-7.39,;37.49,-6.06,;35.96,-6.08,;35.21,-7.43,;35.99,-8.75,;37.52,-8.74,;33.67,-7.45,;32.89,-6.13,;31.35,-6.15,;30.6,-7.49,;31.38,-8.8,;32.92,-8.79,;29.06,-7.5,;28.28,-6.18,;28.31,-8.84,;26.77,-8.86,;25.85,-7.63,;24.39,-8.12,;24.4,-9.66,;23.06,-10.41,;21.74,-9.63,;21.76,-8.09,;20.43,-7.31,;19.09,-8.06,;19.08,-9.61,;20.4,-10.39,;20.39,-11.93,;25.87,-10.12,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-4-2-1-3-19(20)14-21-27-28-24(32-21)26-23(31)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-22(29)30/h1-4,9-12,15-16H,5-8,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380045
(CHEMBL2012625)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:4.3,wD:7.10,(15.69,-16.29,;14.15,-16.31,;13.4,-17.65,;13.37,-14.98,;11.83,-15,;11.06,-16.35,;9.53,-16.36,;8.75,-15.04,;9.49,-13.7,;11.03,-13.68,;7.21,-15.06,;6.42,-13.75,;4.89,-13.77,;4.14,-15.1,;4.91,-16.42,;6.46,-16.4,;2.6,-15.12,;1.81,-13.79,;1.84,-16.46,;.3,-16.47,;-.62,-15.25,;-2.08,-15.73,;-2.06,-17.28,;-3.41,-18.03,;-4.73,-17.25,;-4.71,-15.71,;-6.04,-14.92,;-7.38,-15.68,;-7.39,-17.23,;-6.07,-18,;-.59,-17.73,)| Show InChI InChI=1S/C24H25N3O3S/c28-22(29)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18- | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380049
(CHEMBL2012611)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCCC2)s1 |r,wU:7.10,wD:4.3,(15.04,-25.76,;13.5,-25.78,;12.74,-27.12,;12.71,-24.46,;11.17,-24.48,;10.38,-23.15,;8.84,-23.17,;8.09,-24.52,;8.87,-25.84,;10.41,-25.82,;6.56,-24.54,;5.77,-23.22,;4.24,-23.24,;3.49,-24.57,;4.27,-25.89,;5.81,-25.88,;1.95,-24.59,;1.17,-23.26,;1.19,-25.93,;-.35,-25.95,;-1.27,-24.71,;-2.72,-25.21,;-2.71,-26.75,;-4.05,-27.5,;-5.38,-26.72,;-6.72,-27.47,;-8.04,-26.68,;-9.38,-27.44,;-9.4,-28.98,;-8.06,-29.76,;-6.73,-29,;-1.24,-27.21,)| Show InChI InChI=1S/C25H33N3O3S/c29-23(30)16-18-6-9-19(10-7-18)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)15-8-17-4-2-1-3-5-17/h11-14,17-19H,1-10,15-16H2,(H,29,30)(H,26,28,31)/t18-,19- | PDB
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| CHEMBL
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380050
(CHEMBL2012622)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.91,-18.68,;43.37,-18.7,;42.62,-20.04,;42.59,-17.38,;41.05,-17.39,;40.26,-16.07,;38.72,-16.09,;37.97,-17.44,;38.75,-18.76,;40.29,-18.74,;36.44,-17.45,;35.65,-16.14,;34.11,-16.16,;33.36,-17.49,;34.14,-18.81,;35.69,-18.8,;31.82,-17.51,;31.04,-16.18,;31.07,-18.85,;29.53,-18.87,;28.61,-17.63,;27.15,-18.12,;27.16,-19.67,;25.82,-20.42,;24.5,-19.64,;23.15,-20.39,;21.83,-19.6,;20.49,-20.36,;20.47,-21.9,;19.13,-22.66,;21.81,-22.68,;23.14,-21.92,;28.63,-20.13,)| Show InChI InChI=1S/C24H24FN3O4S/c25-19-9-11-20(12-10-19)32-14-21-27-28-24(33-21)26-23(31)18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-22(29)30/h5-12,15-16H,1-4,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380048
(CHEMBL2012629)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 |r,wU:7.10,wD:4.3,(42.15,-8.67,;40.61,-8.69,;39.86,-10.04,;39.82,-7.37,;38.28,-7.39,;37.49,-6.06,;35.96,-6.08,;35.21,-7.43,;35.99,-8.75,;37.52,-8.74,;33.67,-7.45,;32.89,-6.13,;31.35,-6.15,;30.6,-7.49,;31.38,-8.8,;32.92,-8.79,;29.06,-7.5,;28.28,-6.18,;28.31,-8.84,;26.77,-8.86,;25.85,-7.63,;24.39,-8.12,;24.4,-9.66,;23.06,-10.41,;21.74,-9.63,;21.76,-8.09,;20.43,-7.31,;19.09,-8.06,;19.08,-9.61,;20.4,-10.39,;20.39,-11.93,;25.87,-10.12,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-4-2-1-3-19(20)14-21-27-28-24(32-21)26-23(31)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-22(29)30/h1-4,9-12,15-16H,5-8,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380046
(CHEMBL2012628)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 |r,wU:7.10,wD:4.3,(15.26,-9.38,;13.72,-9.4,;12.97,-10.74,;12.94,-8.08,;11.4,-8.1,;10.61,-6.77,;9.07,-6.79,;8.32,-8.14,;9.1,-9.46,;10.64,-9.44,;6.78,-8.16,;6,-6.84,;4.46,-6.86,;3.72,-8.19,;4.49,-9.51,;6.04,-9.5,;2.18,-8.21,;1.39,-6.88,;1.42,-9.55,;-.12,-9.57,;-1.04,-8.33,;-2.5,-8.83,;-2.48,-10.37,;-3.83,-11.12,;-5.15,-10.34,;-6.48,-11.09,;-7.81,-10.32,;-7.8,-8.77,;-6.45,-8.01,;-6.44,-6.47,;-5.13,-8.8,;-1.01,-10.83,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380025
(CHEMBL2012610)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccccc2)s1 |r,wU:7.10,wD:4.3,(42.73,-17.37,;41.19,-17.39,;40.44,-18.73,;40.41,-16.07,;38.87,-16.09,;38.08,-14.76,;36.54,-14.78,;35.79,-16.13,;36.57,-17.45,;38.11,-17.43,;34.25,-16.15,;33.47,-14.83,;31.93,-14.85,;31.18,-16.18,;31.96,-17.5,;33.5,-17.49,;29.64,-16.2,;28.86,-14.87,;28.89,-17.54,;27.35,-17.56,;26.43,-16.32,;24.97,-16.82,;24.98,-18.36,;23.64,-19.11,;22.32,-18.33,;20.97,-19.08,;19.65,-18.29,;18.31,-19.05,;18.29,-20.59,;19.63,-21.37,;20.96,-20.62,;26.45,-18.82,)| Show InChI InChI=1S/C24H25N3O4S/c28-22(29)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23(30)25-24-27-26-21(32-24)15-31-20-4-2-1-3-5-20/h1-5,10-13,16-17H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t16-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380051
(CHEMBL2012620)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCCc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(22.05,-6.24,;20.51,-6.26,;19.76,-7.6,;19.72,-4.93,;18.18,-4.95,;17.39,-3.63,;15.85,-3.65,;15.1,-5,;15.89,-6.32,;17.42,-6.3,;13.57,-5.01,;12.79,-3.7,;11.25,-3.72,;10.5,-5.05,;11.28,-6.37,;12.82,-6.36,;8.96,-5.07,;8.18,-3.74,;8.2,-6.41,;6.66,-6.43,;5.75,-5.19,;4.29,-5.68,;4.3,-7.23,;3.03,-8.1,;1.64,-7.45,;.29,-8.19,;-1.02,-7.39,;-2.37,-8.13,;-3.69,-7.33,;-3.65,-5.79,;-4.97,-4.99,;-2.29,-5.05,;-.98,-5.85,;5.77,-7.69,)| Show InChI InChI=1S/C26H28FN3O3S/c27-22-14-6-17(7-15-22)2-1-3-23-29-30-26(34-23)28-25(33)21-12-10-20(11-13-21)19-8-4-18(5-9-19)16-24(31)32/h6-7,10-15,18-19H,1-5,8-9,16H2,(H,31,32)(H,28,30,33)/t18-,19- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380047
(CHEMBL2012631)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 |r,wU:7.10,wD:4.3,(44.73,-17.98,;43.19,-18,;42.43,-19.34,;42.4,-16.67,;40.86,-16.69,;40.07,-15.37,;38.53,-15.39,;37.78,-16.74,;38.57,-18.05,;40.1,-18.04,;36.25,-16.75,;35.47,-15.43,;33.93,-15.46,;33.18,-16.79,;33.96,-18.11,;35.5,-18.09,;31.64,-16.81,;30.86,-15.48,;30.88,-18.15,;29.34,-18.16,;28.42,-16.93,;26.96,-17.42,;26.98,-18.96,;25.64,-19.72,;24.31,-18.93,;24.33,-17.39,;23.01,-16.61,;21.67,-17.36,;21.66,-18.91,;20.32,-19.67,;22.98,-19.69,;28.45,-19.42,)| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380052
(CHEMBL2012613)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCC2)s1 |r,wU:7.10,wD:4.3,(13.19,-35.05,;11.65,-35.07,;10.9,-36.41,;10.87,-33.74,;9.33,-33.76,;8.54,-32.44,;7,-32.46,;6.25,-33.81,;7.03,-35.13,;8.57,-35.11,;4.72,-33.82,;3.93,-32.51,;2.4,-32.53,;1.65,-33.86,;2.42,-35.18,;3.97,-35.16,;.11,-33.88,;-.68,-32.55,;-.65,-35.22,;-2.19,-35.23,;-3.11,-34,;-4.57,-34.49,;-4.55,-36.03,;-5.89,-36.79,;-7.22,-36,;-7.2,-34.46,;-6.1,-33.39,;-7.18,-32.29,;-8.28,-33.36,;-3.08,-36.49,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-4-7-17(8-5-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-6-15-2-1-3-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380053
(CHEMBL2012619)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(18.16,-8.88,;16.62,-8.9,;15.86,-10.24,;15.83,-7.57,;14.29,-7.59,;13.5,-6.27,;11.96,-6.29,;11.21,-7.64,;12,-8.95,;13.53,-8.94,;9.68,-7.65,;8.89,-6.33,;7.36,-6.36,;6.61,-7.69,;7.39,-9.01,;8.93,-8.99,;5.07,-7.71,;4.29,-6.38,;4.31,-9.05,;2.77,-9.06,;1.85,-7.83,;.39,-8.32,;.41,-9.86,;-.93,-10.62,;-2.26,-9.83,;-3.6,-10.59,;-4.92,-9.8,;-6.26,-10.55,;-6.28,-12.1,;-7.62,-12.85,;-4.95,-12.88,;-3.61,-12.12,;1.88,-10.32,)| Show InChI InChI=1S/C25H26FN3O3S/c26-21-12-3-16(4-13-21)5-14-22-28-29-25(33-22)27-24(32)20-10-8-19(9-11-20)18-6-1-17(2-7-18)15-23(30)31/h3-4,8-13,17-18H,1-2,5-7,14-15H2,(H,30,31)(H,27,29,32)/t17-,18- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380028
(CHEMBL2012608)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCc2ccccc2)s1 |r,wU:7.10,wD:4.3,(41.1,-9.44,;39.56,-9.46,;38.8,-10.8,;38.77,-8.13,;37.23,-8.15,;36.44,-6.83,;34.9,-6.85,;34.15,-8.19,;34.93,-9.51,;36.47,-9.5,;32.62,-8.21,;31.83,-6.89,;30.3,-6.92,;29.55,-8.25,;30.32,-9.57,;31.87,-9.55,;28.01,-8.26,;27.22,-6.94,;27.25,-9.61,;25.71,-9.62,;24.79,-8.39,;23.33,-8.88,;23.35,-10.42,;22.01,-11.18,;20.68,-10.39,;19.34,-11.15,;18.02,-10.36,;16.68,-11.11,;16.66,-12.66,;17.99,-13.44,;19.33,-12.68,;24.82,-10.88,)| Show InChI InChI=1S/C25H27N3O3S/c29-23(30)16-18-6-9-19(10-7-18)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)15-8-17-4-2-1-3-5-17/h1-5,11-14,18-19H,6-10,15-16H2,(H,29,30)(H,26,28,31)/t18-,19- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380054
(CHEMBL2012632)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2Cl)s1 |r,wU:7.10,wD:4.3,(15.75,-24.57,;14.21,-24.58,;13.46,-25.93,;13.43,-23.26,;11.89,-23.28,;11.1,-21.95,;9.56,-21.98,;8.81,-23.32,;9.59,-24.64,;11.13,-24.63,;7.28,-23.34,;6.49,-22.02,;4.95,-22.05,;4.21,-23.38,;4.98,-24.7,;6.53,-24.68,;2.67,-23.39,;1.88,-22.07,;1.91,-24.74,;.37,-24.75,;-.55,-23.52,;-2.01,-24.01,;-1.99,-25.55,;-3.34,-26.31,;-4.66,-25.52,;-4.64,-23.98,;-5.96,-23.2,;-7.31,-23.95,;-7.32,-25.5,;-5.99,-26.28,;-6,-27.82,;-.52,-26.01,)| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-4-2-1-3-19(20)14-21-27-28-24(32-21)26-23(31)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-22(29)30/h1-4,9-12,15-16H,5-8,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380027
(CHEMBL2012601)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccccc1 |r,wU:7.10,wD:4.3,(15.1,-34.92,;13.56,-34.94,;12.8,-36.29,;12.77,-33.62,;11.23,-33.64,;10.44,-32.31,;8.9,-32.33,;8.15,-33.68,;8.93,-35,;10.47,-34.99,;6.62,-33.7,;5.83,-32.38,;4.3,-32.4,;3.55,-33.74,;4.33,-35.05,;5.87,-35.04,;2.01,-33.75,;1.25,-35.09,;1.22,-32.43,;-.32,-32.44,;-1.23,-31.21,;-2.69,-31.7,;-2.68,-33.24,;-1.21,-33.7,;-3.99,-34.05,;-5.34,-33.32,;-6.65,-34.12,;-6.61,-35.66,;-5.24,-36.39,;-3.94,-35.58,)| Show InChI InChI=1S/C23H23N3O3S/c27-20(28)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21(29)24-23-26-25-22(30-23)19-4-2-1-3-5-19/h1-5,10-13,15-16H,6-9,14H2,(H,27,28)(H,24,26,29)/t15-,16- | PDB
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| Article
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380050
(CHEMBL2012622)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.91,-18.68,;43.37,-18.7,;42.62,-20.04,;42.59,-17.38,;41.05,-17.39,;40.26,-16.07,;38.72,-16.09,;37.97,-17.44,;38.75,-18.76,;40.29,-18.74,;36.44,-17.45,;35.65,-16.14,;34.11,-16.16,;33.36,-17.49,;34.14,-18.81,;35.69,-18.8,;31.82,-17.51,;31.04,-16.18,;31.07,-18.85,;29.53,-18.87,;28.61,-17.63,;27.15,-18.12,;27.16,-19.67,;25.82,-20.42,;24.5,-19.64,;23.15,-20.39,;21.83,-19.6,;20.49,-20.36,;20.47,-21.9,;19.13,-22.66,;21.81,-22.68,;23.14,-21.92,;28.63,-20.13,)| Show InChI InChI=1S/C24H24FN3O4S/c25-19-9-11-20(12-10-19)32-14-21-27-28-24(33-21)26-23(31)18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-22(29)30/h5-12,15-16H,1-4,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380052
(CHEMBL2012613)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCC2)s1 |r,wU:7.10,wD:4.3,(13.19,-35.05,;11.65,-35.07,;10.9,-36.41,;10.87,-33.74,;9.33,-33.76,;8.54,-32.44,;7,-32.46,;6.25,-33.81,;7.03,-35.13,;8.57,-35.11,;4.72,-33.82,;3.93,-32.51,;2.4,-32.53,;1.65,-33.86,;2.42,-35.18,;3.97,-35.16,;.11,-33.88,;-.68,-32.55,;-.65,-35.22,;-2.19,-35.23,;-3.11,-34,;-4.57,-34.49,;-4.55,-36.03,;-5.89,-36.79,;-7.22,-36,;-7.2,-34.46,;-6.1,-33.39,;-7.18,-32.29,;-8.28,-33.36,;-3.08,-36.49,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-4-7-17(8-5-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-6-15-2-1-3-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380025
(CHEMBL2012610)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccccc2)s1 |r,wU:7.10,wD:4.3,(42.73,-17.37,;41.19,-17.39,;40.44,-18.73,;40.41,-16.07,;38.87,-16.09,;38.08,-14.76,;36.54,-14.78,;35.79,-16.13,;36.57,-17.45,;38.11,-17.43,;34.25,-16.15,;33.47,-14.83,;31.93,-14.85,;31.18,-16.18,;31.96,-17.5,;33.5,-17.49,;29.64,-16.2,;28.86,-14.87,;28.89,-17.54,;27.35,-17.56,;26.43,-16.32,;24.97,-16.82,;24.98,-18.36,;23.64,-19.11,;22.32,-18.33,;20.97,-19.08,;19.65,-18.29,;18.31,-19.05,;18.29,-20.59,;19.63,-21.37,;20.96,-20.62,;26.45,-18.82,)| Show InChI InChI=1S/C24H25N3O4S/c28-22(29)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23(30)25-24-27-26-21(32-24)15-31-20-4-2-1-3-5-20/h1-5,10-13,16-17H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t16-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380029
(CHEMBL2012627)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.87,1.11,;43.33,1.09,;42.57,-.25,;42.54,2.42,;41,2.4,;40.21,3.72,;38.67,3.7,;37.92,2.35,;38.71,1.03,;40.24,1.05,;36.39,2.34,;35.61,3.65,;34.07,3.63,;33.32,2.3,;34.1,.98,;35.64,1,;31.78,2.28,;31,3.61,;31.02,.94,;29.48,.92,;28.56,2.16,;27.1,1.67,;27.12,.13,;25.78,-.63,;24.45,.15,;24.47,1.7,;23.15,2.48,;21.81,1.72,;20.48,2.51,;21.8,.18,;23.12,-.6,;28.59,-.33,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380030
(CHEMBL2012626)Show SMILES COc1ccc(Cc2nnc(NC(=O)c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)s2)cc1 |r,wU:20.20,wD:23.24,(-7.01,3.75,;-7.02,2.21,;-5.7,1.43,;-4.35,2.18,;-3.03,1.4,;-3.05,-.14,;-1.73,-.93,;-.38,-.17,;-.4,1.37,;1.06,1.86,;1.98,.63,;3.52,.65,;4.28,1.99,;3.49,3.31,;5.82,2,;6.56,3.34,;8.1,3.36,;8.88,2.04,;8.14,.7,;6.59,.68,;10.42,2.06,;11.17,3.4,;12.71,3.43,;13.5,2.1,;15.04,2.12,;15.82,.8,;17.36,.82,;15.07,-.55,;12.74,.75,;11.2,.74,;1.09,-.63,;-4.38,-.9,;-5.71,-.12,)| Show InChI InChI=1S/C25H27N3O4S/c1-32-21-12-4-16(5-13-21)14-22-27-28-25(33-22)26-24(31)20-10-8-19(9-11-20)18-6-2-17(3-7-18)15-23(29)30/h4-5,8-13,17-18H,2-3,6-7,14-15H2,1H3,(H,29,30)(H,26,28,31)/t17-,18- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380055
(CHEMBL2012600)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)C1(CC1)c1ccccc1 |r,wU:7.10,wD:4.3,(43.79,-25.35,;42.25,-25.37,;41.49,-26.72,;41.46,-24.05,;39.92,-24.06,;39.13,-22.74,;37.59,-22.76,;36.83,-24.11,;37.62,-25.43,;39.16,-25.41,;35.3,-24.12,;34.51,-22.81,;32.97,-22.83,;32.22,-24.16,;33,-25.48,;34.55,-25.47,;30.68,-24.18,;29.92,-25.52,;29.9,-22.85,;28.35,-22.87,;27.43,-21.63,;25.97,-22.12,;25.99,-23.67,;27.46,-24.13,;24.64,-24.42,;25.41,-25.75,;23.87,-25.74,;23.32,-23.64,;23.34,-22.1,;22.01,-21.31,;20.67,-22.07,;20.65,-23.62,;21.98,-24.4,)| Show InChI InChI=1S/C26H27N3O3S/c30-22(31)16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(32)27-25-29-28-24(33-25)26(14-15-26)21-4-2-1-3-5-21/h1-5,10-13,17-18H,6-9,14-16H2,(H,30,31)(H,27,29,32)/t17-,18- | PDB
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| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380053
(CHEMBL2012619)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(18.16,-8.88,;16.62,-8.9,;15.86,-10.24,;15.83,-7.57,;14.29,-7.59,;13.5,-6.27,;11.96,-6.29,;11.21,-7.64,;12,-8.95,;13.53,-8.94,;9.68,-7.65,;8.89,-6.33,;7.36,-6.36,;6.61,-7.69,;7.39,-9.01,;8.93,-8.99,;5.07,-7.71,;4.29,-6.38,;4.31,-9.05,;2.77,-9.06,;1.85,-7.83,;.39,-8.32,;.41,-9.86,;-.93,-10.62,;-2.26,-9.83,;-3.6,-10.59,;-4.92,-9.8,;-6.26,-10.55,;-6.28,-12.1,;-7.62,-12.85,;-4.95,-12.88,;-3.61,-12.12,;1.88,-10.32,)| Show InChI InChI=1S/C25H26FN3O3S/c26-21-12-3-16(4-13-21)5-14-22-28-29-25(33-22)27-24(32)20-10-8-19(9-11-20)18-6-1-17(2-7-18)15-23(30)31/h3-4,8-13,17-18H,1-2,5-7,14-15H2,(H,30,31)(H,27,29,32)/t17-,18- | PDB
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| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380051
(CHEMBL2012620)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCCc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(22.05,-6.24,;20.51,-6.26,;19.76,-7.6,;19.72,-4.93,;18.18,-4.95,;17.39,-3.63,;15.85,-3.65,;15.1,-5,;15.89,-6.32,;17.42,-6.3,;13.57,-5.01,;12.79,-3.7,;11.25,-3.72,;10.5,-5.05,;11.28,-6.37,;12.82,-6.36,;8.96,-5.07,;8.18,-3.74,;8.2,-6.41,;6.66,-6.43,;5.75,-5.19,;4.29,-5.68,;4.3,-7.23,;3.03,-8.1,;1.64,-7.45,;.29,-8.19,;-1.02,-7.39,;-2.37,-8.13,;-3.69,-7.33,;-3.65,-5.79,;-4.97,-4.99,;-2.29,-5.05,;-.98,-5.85,;5.77,-7.69,)| Show InChI InChI=1S/C26H28FN3O3S/c27-22-14-6-17(7-15-22)2-1-3-23-29-30-26(34-23)28-25(33)21-12-10-20(11-13-21)19-8-4-18(5-9-19)16-24(31)32/h6-7,10-15,18-19H,1-5,8-9,16H2,(H,31,32)(H,28,30,33)/t18-,19- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380056
(CHEMBL2012609)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 |r,wU:7.10,wD:4.3,(15.65,-17.73,;14.11,-17.75,;13.35,-19.09,;13.32,-16.43,;11.78,-16.44,;10.99,-15.12,;9.45,-15.14,;8.7,-16.49,;9.48,-17.81,;11.02,-17.79,;7.17,-16.51,;6.38,-15.19,;4.85,-15.21,;4.1,-16.54,;4.87,-17.86,;6.42,-17.85,;2.56,-16.56,;1.77,-15.23,;1.8,-17.9,;.26,-17.92,;-.66,-16.68,;-2.12,-17.18,;-2.1,-18.72,;-3.45,-19.47,;-4.77,-18.69,;-6.11,-19.44,;-7.44,-18.65,;-8.78,-19.41,;-8.79,-20.95,;-7.46,-21.73,;-6.12,-20.98,;-.63,-19.18,)| Show InChI InChI=1S/C24H25N3O3S2/c28-21(29)14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22(30)25-23-26-27-24(32-23)31-15-17-4-2-1-3-5-17/h1-5,10-13,16,18H,6-9,14-15H2,(H,28,29)(H,25,26,30)/t16-,18- | PDB
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| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380041
(CHEMBL2012633)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Cc3ccccc3)s2)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O3S/c1-17(2)24(26(33)34)29-25(32)21-10-8-19(9-11-21)20-12-14-22(15-13-20)28-27-31-30-23(35-27)16-18-6-4-3-5-7-18/h3-15,17,24H,16H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)/t24-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380057
(CHEMBL2012624)Show SMILES OC(=O)CC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:8.11,wD:5.4,(17.04,-2.19,;16.26,-.87,;17.02,.47,;14.72,-.88,;13.94,.45,;12.4,.43,;11.6,1.74,;10.06,1.72,;9.31,.38,;10.09,-.94,;11.63,-.92,;7.78,.37,;6.99,1.68,;5.45,1.65,;4.71,.32,;5.48,-.99,;7.03,-.98,;3.17,.3,;2.38,1.63,;2.41,-1.03,;.87,-1.05,;-.05,.18,;-1.51,-.31,;-1.5,-1.85,;-2.84,-2.6,;-4.17,-1.82,;-4.14,-.28,;-5.47,.51,;-6.82,-.25,;-6.83,-1.8,;-5.5,-2.58,;-.02,-2.31,)| Show InChI InChI=1S/C25H27N3O3S/c29-23(30)15-8-17-6-9-19(10-7-17)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)16-18-4-2-1-3-5-18/h1-5,11-14,17,19H,6-10,15-16H2,(H,29,30)(H,26,28,31)/t17-,19- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380058
(CHEMBL2012617)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)C1(CC1)c1ccc(F)cc1 |r,wU:7.10,wD:4.3,(15.06,-2.32,;13.52,-2.33,;12.77,-3.68,;12.73,-1.01,;11.19,-1.03,;10.4,.3,;8.86,.28,;8.1,-1.07,;8.89,-2.39,;10.43,-2.38,;6.57,-1.09,;5.78,.23,;4.24,.21,;3.49,-1.13,;4.27,-2.45,;5.82,-2.43,;1.95,-1.14,;1.19,-2.49,;1.16,.19,;-.38,.17,;-1.3,1.41,;-2.76,.91,;-2.75,-.63,;-1.27,-1.09,;-4.09,-1.38,;-3.33,-2.71,;-4.86,-2.71,;-5.42,-.6,;-5.4,.94,;-6.72,1.73,;-8.07,.97,;-9.4,1.76,;-8.08,-.58,;-6.75,-1.36,)| Show InChI InChI=1S/C26H26FN3O3S/c27-21-11-9-20(10-12-21)26(13-14-26)24-29-30-25(34-24)28-23(33)19-7-5-18(6-8-19)17-3-1-16(2-4-17)15-22(31)32/h5-12,16-17H,1-4,13-15H2,(H,31,32)(H,28,30,33)/t16-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380059
(CHEMBL2012615)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)C1CCCC1 |r,wU:7.10,wD:4.3,(12.28,-42.06,;10.74,-42.07,;9.98,-43.42,;9.95,-40.75,;8.41,-40.77,;7.62,-39.45,;6.08,-39.47,;5.33,-40.81,;6.11,-42.13,;7.65,-42.12,;3.8,-40.83,;3.01,-39.51,;1.48,-39.54,;.73,-40.87,;1.51,-42.19,;3.05,-42.17,;-.81,-40.88,;-1.6,-39.56,;-1.57,-42.23,;-3.11,-42.24,;-4.03,-41.01,;-5.49,-41.5,;-5.47,-43.04,;-4,-43.5,;-6.68,-44,;-8.17,-43.59,;-9.02,-44.87,;-8.06,-46.08,;-6.62,-45.54,)| Show InChI InChI=1S/C22H27N3O3S/c26-19(27)13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)20(28)23-22-25-24-21(29-22)18-3-1-2-4-18/h9-12,14-15,18H,1-8,13H2,(H,26,27)(H,23,25,28)/t14-,15- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380060
(CHEMBL2012616)Show SMILES CC(C)Cc1nnc(NC(=O)c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)s1 |r,wU:17.17,wD:20.21,(19.4,-40.74,;19.33,-42.28,;17.96,-42.99,;20.62,-43.11,;21.99,-42.4,;21.98,-40.86,;23.44,-40.37,;24.36,-41.6,;25.9,-41.59,;26.65,-40.25,;25.87,-38.92,;28.19,-40.23,;28.94,-38.9,;30.48,-38.88,;31.26,-40.19,;30.51,-41.53,;28.97,-41.55,;32.79,-40.18,;33.54,-38.83,;35.08,-38.81,;35.87,-40.13,;37.41,-40.11,;38.2,-41.44,;39.74,-41.42,;37.45,-42.78,;35.11,-41.48,;33.58,-41.5,;23.46,-42.86,)| Show InChI InChI=1S/C21H27N3O3S/c1-13(2)11-18-23-24-21(28-18)22-20(27)17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(25)26/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,25,26)(H,22,24,27)/t14-,15- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380026
(CHEMBL2012623)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:7.10,4.3,(41.76,-17.08,;40.22,-17.1,;39.47,-18.44,;39.43,-15.77,;37.89,-15.79,;37.13,-17.14,;35.59,-17.15,;34.81,-15.83,;35.56,-14.49,;37.1,-14.47,;33.28,-15.85,;32.49,-14.54,;30.95,-14.56,;30.21,-15.89,;30.98,-17.21,;32.52,-17.19,;28.67,-15.91,;27.88,-14.58,;27.91,-17.25,;26.36,-17.26,;25.45,-16.04,;23.99,-16.52,;24,-18.07,;22.66,-18.82,;21.33,-18.04,;21.35,-16.5,;20.03,-15.71,;18.68,-16.47,;18.67,-18.02,;20,-18.79,;25.48,-18.52,)| Show InChI InChI=1S/C24H25N3O3S/c28-22(29)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18+ | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380027
(CHEMBL2012601)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccccc1 |r,wU:7.10,wD:4.3,(15.1,-34.92,;13.56,-34.94,;12.8,-36.29,;12.77,-33.62,;11.23,-33.64,;10.44,-32.31,;8.9,-32.33,;8.15,-33.68,;8.93,-35,;10.47,-34.99,;6.62,-33.7,;5.83,-32.38,;4.3,-32.4,;3.55,-33.74,;4.33,-35.05,;5.87,-35.04,;2.01,-33.75,;1.25,-35.09,;1.22,-32.43,;-.32,-32.44,;-1.23,-31.21,;-2.69,-31.7,;-2.68,-33.24,;-1.21,-33.7,;-3.99,-34.05,;-5.34,-33.32,;-6.65,-34.12,;-6.61,-35.66,;-5.24,-36.39,;-3.94,-35.58,)| Show InChI InChI=1S/C23H23N3O3S/c27-20(28)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21(29)24-23-26-25-22(30-23)19-4-2-1-3-5-19/h1-5,10-13,15-16H,6-9,14H2,(H,27,28)(H,24,26,29)/t15-,16- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380028
(CHEMBL2012608)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCc2ccccc2)s1 |r,wU:7.10,wD:4.3,(41.1,-9.44,;39.56,-9.46,;38.8,-10.8,;38.77,-8.13,;37.23,-8.15,;36.44,-6.83,;34.9,-6.85,;34.15,-8.19,;34.93,-9.51,;36.47,-9.5,;32.62,-8.21,;31.83,-6.89,;30.3,-6.92,;29.55,-8.25,;30.32,-9.57,;31.87,-9.55,;28.01,-8.26,;27.22,-6.94,;27.25,-9.61,;25.71,-9.62,;24.79,-8.39,;23.33,-8.88,;23.35,-10.42,;22.01,-11.18,;20.68,-10.39,;19.34,-11.15,;18.02,-10.36,;16.68,-11.11,;16.66,-12.66,;17.99,-13.44,;19.33,-12.68,;24.82,-10.88,)| Show InChI InChI=1S/C25H27N3O3S/c29-23(30)16-18-6-9-19(10-7-18)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)15-8-17-4-2-1-3-5-17/h1-5,11-14,18-19H,6-10,15-16H2,(H,29,30)(H,26,28,31)/t18-,19- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by... |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380029
(CHEMBL2012627)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.87,1.11,;43.33,1.09,;42.57,-.25,;42.54,2.42,;41,2.4,;40.21,3.72,;38.67,3.7,;37.92,2.35,;38.71,1.03,;40.24,1.05,;36.39,2.34,;35.61,3.65,;34.07,3.63,;33.32,2.3,;34.1,.98,;35.64,1,;31.78,2.28,;31,3.61,;31.02,.94,;29.48,.92,;28.56,2.16,;27.1,1.67,;27.12,.13,;25.78,-.63,;24.45,.15,;24.47,1.7,;23.15,2.48,;21.81,1.72,;20.48,2.51,;21.8,.18,;23.12,-.6,;28.59,-.33,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380030
(CHEMBL2012626)Show SMILES COc1ccc(Cc2nnc(NC(=O)c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)s2)cc1 |r,wU:20.20,wD:23.24,(-7.01,3.75,;-7.02,2.21,;-5.7,1.43,;-4.35,2.18,;-3.03,1.4,;-3.05,-.14,;-1.73,-.93,;-.38,-.17,;-.4,1.37,;1.06,1.86,;1.98,.63,;3.52,.65,;4.28,1.99,;3.49,3.31,;5.82,2,;6.56,3.34,;8.1,3.36,;8.88,2.04,;8.14,.7,;6.59,.68,;10.42,2.06,;11.17,3.4,;12.71,3.43,;13.5,2.1,;15.04,2.12,;15.82,.8,;17.36,.82,;15.07,-.55,;12.74,.75,;11.2,.74,;1.09,-.63,;-4.38,-.9,;-5.71,-.12,)| Show InChI InChI=1S/C25H27N3O4S/c1-32-21-12-4-16(5-13-21)14-22-27-28-25(33-22)26-24(31)20-10-8-19(9-11-20)18-6-2-17(3-7-18)15-23(29)30/h4-5,8-13,17-18H,2-3,6-7,14-15H2,1H3,(H,29,30)(H,26,28,31)/t17-,18- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380031
(CHEMBL2012621)Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)s1 |r,wU:21.22,wD:24.26,(-9.2,-20.68,;-7.88,-21.46,;-6.54,-20.71,;-6.52,-19.17,;-5.18,-18.41,;-3.86,-19.2,;-3.87,-20.73,;-5.2,-21.49,;-2.51,-18.45,;-2.53,-16.9,;-1.07,-16.41,;-.15,-17.64,;1.39,-17.63,;2.14,-16.29,;1.36,-14.96,;3.68,-16.27,;4.43,-14.94,;5.97,-14.91,;6.75,-16.23,;6,-17.57,;4.46,-17.59,;8.29,-16.22,;9.04,-14.87,;10.58,-14.85,;11.37,-16.17,;12.91,-16.15,;13.69,-17.48,;15.23,-17.46,;12.94,-18.82,;10.61,-17.52,;9.07,-17.53,;-1.04,-18.9,)| Show InChI InChI=1S/C24H25N3O4S/c1-31-20-12-10-19(11-13-20)23-26-27-24(32-23)25-22(30)18-8-6-17(7-9-18)16-4-2-15(3-5-16)14-21(28)29/h6-13,15-16H,2-5,14H2,1H3,(H,28,29)(H,25,27,30)/t15-,16- | PDB
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Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380032
(CHEMBL2012603)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2 |r,wU:7.10,wD:4.3,TLB:22:24:27:31.29.30,THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30,(7.65,-23.26,;6.87,-24.59,;7.63,-25.93,;5.32,-24.58,;4.54,-25.91,;3,-25.9,;2.22,-27.23,;2.98,-28.57,;4.52,-28.58,;5.31,-27.26,;2.2,-29.9,;.67,-29.88,;-.11,-31.21,;.65,-32.55,;2.18,-32.56,;2.97,-31.23,;-.14,-33.88,;.63,-35.22,;-1.68,-33.86,;-2.46,-35.19,;-4,-35.11,;-4.56,-36.55,;-3.38,-37.53,;-2.07,-36.69,;-3.38,-39.06,;-4.73,-39.54,;-4.72,-41.03,;-5.92,-42.31,;-4.41,-41.88,;-3,-42.44,;-1.99,-41.17,;-3.39,-41.52,;-1.98,-39.64,;-4.43,-40.29,)| Show InChI InChI=1S/C27H33N3O3S/c31-23(32)12-16-1-3-20(4-2-16)21-5-7-22(8-6-21)24(33)28-26-30-29-25(34-26)27-13-17-9-18(14-27)11-19(10-17)15-27/h5-8,16-20H,1-4,9-15H2,(H,31,32)(H,28,30,33)/t16-,17?,18?,19?,20-,27? | PDB
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| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380034
(CHEMBL2012607)Show SMILES CC(C)(C)c1nnc(NC(=O)c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)s1 |r,wU:17.17,wD:20.21,(-7.86,-10.55,;-6.53,-11.33,;-6.55,-12.87,;-7.87,-12.09,;-5.19,-10.58,;-5.21,-9.04,;-3.75,-8.55,;-2.83,-9.78,;-1.29,-9.76,;-.53,-8.42,;-1.32,-7.09,;1.01,-8.4,;1.76,-7.07,;3.29,-7.05,;4.08,-8.37,;3.33,-9.71,;1.79,-9.72,;5.61,-8.35,;6.36,-7,;7.9,-6.98,;8.69,-8.31,;10.23,-8.29,;11.02,-9.61,;12.56,-9.59,;10.26,-10.95,;7.93,-9.65,;6.39,-9.67,;-3.72,-11.04,)| Show InChI InChI=1S/C21H27N3O3S/c1-21(2,3)19-23-24-20(28-19)22-18(27)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-17(25)26/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,22,24,27)/t13-,14- | PDB
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| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380033
(CHEMBL2012604)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)N1CCOCC1 |r,wU:7.10,wD:4.3,(36.11,-34.7,;34.57,-34.72,;33.81,-36.06,;33.77,-33.39,;32.23,-33.41,;31.45,-32.08,;29.91,-32.11,;29.15,-33.45,;29.94,-34.78,;31.48,-34.76,;27.62,-33.47,;26.84,-32.15,;25.3,-32.17,;24.55,-33.51,;25.33,-34.83,;26.87,-34.81,;23,-33.52,;22.25,-34.87,;22.22,-32.2,;20.68,-32.21,;19.76,-30.98,;18.3,-31.47,;18.31,-33.02,;19.79,-33.47,;17,-33.82,;15.65,-33.09,;14.34,-33.9,;14.39,-35.44,;15.75,-36.17,;17.05,-35.35,)| Show InChI InChI=1S/C21H26N4O4S/c26-18(27)13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)19(28)22-20-23-24-21(30-20)25-9-11-29-12-10-25/h5-8,14-15H,1-4,9-13H2,(H,26,27)(H,22,23,28)/t14-,15- | PDB
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| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380035
(CHEMBL2012618)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)C1(CC1)c1cccc(F)c1 |r,wU:7.10,wD:4.3,(44.94,-1.3,;43.39,-1.32,;42.64,-2.67,;42.61,.01,;41.06,-.01,;40.27,1.31,;38.73,1.29,;37.98,-.06,;38.76,-1.38,;40.3,-1.36,;36.44,-.07,;35.66,1.25,;34.12,1.22,;33.37,-.11,;34.15,-1.43,;35.69,-1.42,;31.83,-.13,;31.07,-1.47,;31.04,1.2,;29.5,1.18,;28.58,2.42,;27.11,1.93,;27.13,.38,;28.6,-.08,;25.78,-.37,;26.55,-1.7,;25.01,-1.69,;24.46,.41,;24.48,1.96,;23.15,2.74,;21.81,1.98,;21.8,.43,;20.45,-.33,;23.12,-.35,)| Show InChI InChI=1S/C26H26FN3O3S/c27-21-3-1-2-20(15-21)26(12-13-26)24-29-30-25(34-24)28-23(33)19-10-8-18(9-11-19)17-6-4-16(5-7-17)14-22(31)32/h1-3,8-11,15-17H,4-7,12-14H2,(H,31,32)(H,28,30,33)/t16-,17- | PDB
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| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380036
(CHEMBL2012606)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Br)s1 |r,wU:7.10,wD:4.3,(36.31,.53,;34.77,.51,;34.02,-.83,;33.99,1.83,;32.45,1.81,;31.66,3.14,;30.12,3.12,;29.37,1.77,;30.15,.45,;31.69,.47,;27.83,1.75,;27.05,3.07,;25.51,3.05,;24.76,1.72,;25.54,.4,;27.08,.41,;23.22,1.7,;22.44,3.02,;22.47,.36,;20.93,.34,;20.01,1.57,;18.55,1.08,;18.56,-.46,;17.22,-1.21,;20.03,-.92,)| Show InChI InChI=1S/C17H18BrN3O3S/c18-16-20-21-17(25-16)19-15(24)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(22)23/h5-8,10-11H,1-4,9H2,(H,22,23)(H,19,21,24)/t10-,11- | PDB
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| Article
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| n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380037
(CHEMBL2012602)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r,wU:7.10,wD:4.3,(42.4,-35.18,;40.86,-35.2,;40.11,-36.54,;40.07,-33.87,;38.53,-33.89,;37.74,-32.57,;36.2,-32.59,;35.45,-33.94,;36.23,-35.26,;37.77,-35.24,;33.92,-33.95,;33.13,-32.63,;31.59,-32.66,;30.84,-33.99,;31.62,-35.31,;33.17,-35.29,;29.3,-34.01,;28.55,-35.35,;28.52,-32.68,;26.98,-32.7,;26.06,-31.46,;24.6,-31.95,;24.61,-33.5,;26.08,-33.96,;23.3,-34.31,;21.95,-33.57,;20.63,-34.38,;20.68,-35.92,;22.05,-36.65,;23.35,-35.84,)| Show InChI InChI=1S/C22H22N4O3S/c27-19(28)13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)20(29)24-22-26-25-21(30-22)18-9-11-23-12-10-18/h5-12,14-15H,1-4,13H2,(H,27,28)(H,24,26,29)/t14-,15- | PDB
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| n/a | n/a | 4.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380038
(CHEMBL2012630)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 |r,wU:7.10,wD:4.3,(15.13,-16.75,;13.59,-16.77,;12.84,-18.12,;12.8,-15.45,;11.26,-15.47,;10.47,-14.14,;8.94,-14.17,;8.19,-15.51,;8.97,-16.83,;10.5,-16.82,;6.65,-15.53,;5.87,-14.21,;4.33,-14.23,;3.58,-15.57,;4.36,-16.89,;5.9,-16.87,;2.04,-15.58,;1.26,-14.26,;1.29,-16.92,;-.25,-16.94,;-1.17,-15.71,;-2.63,-16.2,;-2.62,-17.74,;-3.96,-18.5,;-5.28,-17.71,;-5.26,-16.17,;-6.59,-15.39,;-7.93,-16.14,;-9.26,-15.36,;-7.94,-17.69,;-6.62,-18.47,;-1.15,-18.2,)| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17- | PDB
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| n/a | n/a | 5.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380039
(CHEMBL2012605)Show SMILES CS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)s1 |r,wU:17.17,wD:20.21,(-7.95,-.77,;-6.62,-1.56,;-7.4,-2.88,;-5.86,-2.88,;-5.28,-.8,;-5.29,.74,;-3.83,1.23,;-2.91,-0,;-1.37,.02,;-.62,1.36,;-1.4,2.68,;.92,1.37,;1.67,2.71,;3.21,2.73,;3.99,1.41,;3.24,.07,;1.7,.05,;5.53,1.43,;6.28,2.78,;7.82,2.8,;8.61,1.47,;10.15,1.49,;10.94,.17,;12.48,.19,;10.18,-1.18,;7.85,.12,;6.31,.11,;-3.81,-1.26,)| Show InChI InChI=1S/C18H21N3O5S2/c1-28(25,26)18-21-20-17(27-18)19-16(24)14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(22)23/h6-9,11-12H,2-5,10H2,1H3,(H,22,23)(H,19,20,24)/t11-,12- | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380042
(CHEMBL2012635)Show SMILES CN(C(=O)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)c1nnc(Cc2ccccc2)s1 |r,wU:10.10,wD:13.14,(1.5,-10.77,;.72,-9.44,;1.48,-8.1,;.69,-6.78,;3.02,-8.09,;3.77,-6.75,;5.3,-6.73,;6.09,-8.04,;5.34,-9.39,;3.79,-9.4,;7.63,-8.03,;8.37,-6.68,;9.91,-6.66,;10.71,-7.98,;12.25,-7.96,;13.03,-9.29,;14.57,-9.27,;12.28,-10.63,;9.94,-9.33,;8.41,-9.35,;-.82,-9.46,;-1.74,-8.23,;-3.2,-8.72,;-3.18,-10.26,;-4.53,-11.01,;-5.85,-10.23,;-5.83,-8.69,;-7.16,-7.9,;-8.5,-8.66,;-8.52,-10.21,;-7.19,-10.98,;-1.71,-10.72,)| Show InChI InChI=1S/C25H27N3O3S/c1-28(25-27-26-22(32-25)15-17-5-3-2-4-6-17)24(31)21-13-11-20(12-14-21)19-9-7-18(8-10-19)16-23(29)30/h2-6,11-14,18-19H,7-10,15-16H2,1H3,(H,29,30)/t18-,19- | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380040
(CHEMBL2012634)Show SMILES OC(=O)CC1CCC(CC1)c1ccc(Nc2nnc(Cc3ccccc3)s2)cc1 |(40.12,.86,;38.78,.12,;38.74,-1.42,;37.46,.91,;36.11,.17,;36.08,-1.37,;34.73,-2.11,;33.41,-1.32,;33.43,.22,;34.78,.97,;32.06,-2.06,;32.04,-3.6,;30.69,-4.34,;29.38,-3.55,;28.03,-4.3,;26.77,-3.41,;26.74,-1.87,;25.27,-1.42,;24.38,-2.68,;22.84,-2.72,;22.11,-4.08,;20.57,-4.12,;19.83,-5.47,;20.64,-6.79,;22.19,-6.73,;22.91,-5.39,;25.3,-3.92,;29.4,-2.02,;30.75,-1.27,)| Show InChI InChI=1S/C23H25N3O2S/c27-22(28)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24-23-26-25-21(29-23)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,24,26)(H,27,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 22: 2497-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ |
More data for this
Ligand-Target Pair | |
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