Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50043288 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)) | BDBM50438698
(CHEMBL2414663)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3cnon3)C(=O)c12 Show InChI InChI=1S/C21H21N7O4/c22-18-17-19(24-12-23-18)31-10-9-28(21(17)30)15-3-1-13(2-4-15)14-5-7-27(8-6-14)20(29)16-11-25-32-26-16/h1-4,11-12,14H,5-10H2,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438743
(CHEMBL2414687)Show SMILES C[C@@H]1CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1 |r,wU:1.0,10.10,wD:13.14,(24.81,-45.4,;23.9,-44.15,;24.62,-42.79,;23.98,-41.35,;25.01,-40.18,;26.51,-40.48,;27.52,-39.33,;27.01,-37.84,;25.53,-37.59,;24.52,-38.74,;28.04,-36.67,;27.54,-35.23,;28.55,-34.08,;30.06,-34.35,;31.07,-33.19,;32.58,-33.49,;33.07,-34.94,;33.61,-32.31,;30.55,-35.81,;29.54,-36.97,;22.51,-40.98,;22.22,-39.45,;21.26,-41.89,;19.96,-41.07,;20.02,-39.52,;18.59,-41.78,;18.53,-43.33,;19.84,-44.15,;21.21,-43.43,;22.37,-44.44,)| Show InChI InChI=1S/C22H26N4O4/c1-13-11-26(22(29)19-20(23)24-12-25-21(19)30-13)17-8-6-16(7-9-17)15-4-2-14(3-5-15)10-18(27)28/h6-9,12-15H,2-5,10-11H2,1H3,(H,27,28)(H2,23,24,25)/t13-,14-,15-/m1/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355142
(CHEMBL1835919)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-8.41,-1.48,;-8.4,-3.02,;-9.73,-3.79,;-9.73,-5.34,;-8.4,-6.11,;-7.06,-5.34,;-5.73,-6.38,;-4.15,-6.01,;-3.48,-4.52,;-4.27,-3.04,;-3.51,-1.7,;-1.98,-1.68,;-1.22,-.34,;-2.01,.98,;-3.56,.96,;-4.3,-.39,;-1.26,2.32,;-2.05,3.64,;-1.29,4.98,;.25,5,;1.01,6.34,;2.55,6.36,;3.33,5.03,;3.3,7.7,;1.03,3.67,;.28,2.34,;-5.83,-2.78,;-6.22,-1.29,;-7.07,-3.79,)| Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14- | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438734
(CHEMBL2414751)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)NC4CCCC4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(18.45,-49.67,;18.43,-51.23,;17.08,-51.99,;17.06,-53.55,;18.41,-54.34,;19.76,-53.56,;20.96,-54.56,;22.49,-54.23,;23.17,-52.83,;22.49,-51.41,;23.5,-50.2,;25.01,-50.45,;25.99,-49.27,;25.44,-47.79,;23.94,-47.58,;22.96,-48.76,;26.44,-46.58,;25.91,-45.15,;26.89,-43.96,;28.39,-44.18,;29.39,-42.99,;30.92,-43.25,;31.46,-44.69,;31.91,-42.04,;33.43,-42.3,;34.11,-43.68,;35.64,-43.46,;35.9,-41.94,;34.54,-41.22,;28.94,-45.65,;27.95,-46.84,;20.99,-51.06,;20.67,-49.54,;19.77,-52.02,)| Show InChI InChI=1S/C26H33N5O3/c27-24-23-25(29-16-28-24)34-14-13-31(26(23)33)21-11-9-19(10-12-21)18-7-5-17(6-8-18)15-22(32)30-20-3-1-2-4-20/h9-12,16-18,20H,1-8,13-15H2,(H,30,32)(H2,27,28,29)/t17-,18- | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355142
(CHEMBL1835919)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-8.41,-1.48,;-8.4,-3.02,;-9.73,-3.79,;-9.73,-5.34,;-8.4,-6.11,;-7.06,-5.34,;-5.73,-6.38,;-4.15,-6.01,;-3.48,-4.52,;-4.27,-3.04,;-3.51,-1.7,;-1.98,-1.68,;-1.22,-.34,;-2.01,.98,;-3.56,.96,;-4.3,-.39,;-1.26,2.32,;-2.05,3.64,;-1.29,4.98,;.25,5,;1.01,6.34,;2.55,6.36,;3.33,5.03,;3.3,7.7,;1.03,3.67,;.28,2.34,;-5.83,-2.78,;-6.22,-1.29,;-7.07,-3.79,)| Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14- | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438743
(CHEMBL2414687)Show SMILES C[C@@H]1CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1 |r,wU:1.0,10.10,wD:13.14,(24.81,-45.4,;23.9,-44.15,;24.62,-42.79,;23.98,-41.35,;25.01,-40.18,;26.51,-40.48,;27.52,-39.33,;27.01,-37.84,;25.53,-37.59,;24.52,-38.74,;28.04,-36.67,;27.54,-35.23,;28.55,-34.08,;30.06,-34.35,;31.07,-33.19,;32.58,-33.49,;33.07,-34.94,;33.61,-32.31,;30.55,-35.81,;29.54,-36.97,;22.51,-40.98,;22.22,-39.45,;21.26,-41.89,;19.96,-41.07,;20.02,-39.52,;18.59,-41.78,;18.53,-43.33,;19.84,-44.15,;21.21,-43.43,;22.37,-44.44,)| Show InChI InChI=1S/C22H26N4O4/c1-13-11-26(22(29)19-20(23)24-12-25-21(19)30-13)17-8-6-16(7-9-17)15-4-2-14(3-5-15)10-18(27)28/h6-9,12-15H,2-5,10-11H2,1H3,(H,27,28)(H2,23,24,25)/t13-,14-,15-/m1/s1 | PDB
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| CHEMBL
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438735
(CHEMBL2414670)Show SMILES Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:9.12,wD:6.5,(36.55,-43.27,;35.45,-42.18,;35.71,-40.66,;34.32,-39.96,;33.22,-41.07,;31.72,-40.82,;30.73,-42.03,;29.22,-41.78,;28.26,-42.96,;28.81,-44.42,;30.3,-44.64,;31.27,-43.46,;27.82,-45.63,;26.31,-45.38,;25.34,-46.57,;25.88,-48.02,;27.38,-48.24,;28.35,-47.06,;24.9,-49.22,;25.54,-50.6,;24.91,-52.01,;23.38,-52.34,;22.18,-51.36,;20.84,-52.13,;19.5,-51.35,;19.51,-49.8,;20.86,-49.04,;20.86,-47.5,;22.19,-49.82,;23.4,-48.87,;23.07,-47.35,;33.93,-42.42,)| Show InChI InChI=1S/C23H26N6O3/c1-14-27-19(32-28-14)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-31-22-20(23(29)30)21(24)25-13-26-22/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,24,25,26)/t15-,16- | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438726
(CHEMBL2414684)Show SMILES Nc1ccnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(25.66,-48.71,;25.59,-50.24,;24.22,-50.95,;24.14,-52.49,;25.45,-53.32,;26.82,-52.61,;27.98,-53.64,;29.5,-53.36,;30.23,-52,;29.61,-50.57,;30.65,-49.4,;32.14,-49.71,;33.15,-48.57,;32.66,-47.09,;31.18,-46.82,;30.16,-47.95,;33.7,-45.92,;33.22,-44.48,;34.23,-43.34,;35.72,-43.61,;36.75,-42.46,;38.25,-42.77,;39.29,-41.61,;38.74,-44.22,;36.2,-45.09,;35.19,-46.23,;28.14,-50.17,;27.87,-48.65,;26.89,-51.08,)| Show InChI InChI=1S/C22H25N3O4/c23-18-9-10-24-21-20(18)22(28)25(11-12-29-21)17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-19(26)27/h5-10,14-15H,1-4,11-13H2,(H2,23,24)(H,26,27)/t14-,15- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438737
(CHEMBL2414668)Show SMILES CC(C)(O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:8.11,wD:5.4,(35.63,-43.7,;35.14,-42.24,;36.17,-41.09,;36.63,-42.63,;33.64,-41.93,;32.61,-43.1,;31.12,-42.8,;30.1,-43.94,;30.6,-45.42,;32.08,-45.69,;33.1,-44.55,;29.56,-46.59,;28.07,-46.29,;27.05,-47.44,;27.54,-48.91,;29.04,-49.19,;30.05,-48.04,;26.52,-50.06,;27.13,-51.49,;26.4,-52.84,;24.87,-53.12,;23.72,-52.1,;22.34,-52.82,;21.04,-51.99,;21.11,-50.45,;22.47,-49.73,;22.54,-48.19,;23.78,-50.56,;25.03,-49.66,;24.75,-48.13,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2,29)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)27-11-12-30-21-19(22(27)28)20(24)25-14-26-21/h7-10,14-16,29H,3-6,11-13H2,1-2H3,(H2,24,25,26)/t15-,16- | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438712
(CHEMBL2414697)Show SMILES CN(CC(O)=O)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:12.15,wD:9.8,(30.02,-40.47,;28.5,-40.16,;28.01,-38.69,;29.03,-37.54,;30.54,-37.84,;28.54,-36.06,;27.48,-41.32,;27.98,-42.8,;25.97,-41.01,;24.93,-42.19,;23.45,-41.92,;22.44,-43.07,;22.92,-44.51,;24.42,-44.82,;25.44,-43.67,;21.88,-45.69,;22.38,-47.18,;21.37,-48.32,;19.87,-48.02,;19.39,-46.57,;20.4,-45.43,;18.83,-49.2,;19.46,-50.64,;18.73,-52,;17.2,-52.28,;16.04,-51.26,;14.67,-51.98,;13.35,-51.15,;13.43,-49.6,;14.79,-48.88,;14.86,-47.34,;16.1,-49.72,;17.35,-48.8,;17.07,-47.28,)| Show InChI InChI=1S/C24H29N5O5/c1-28(13-20(31)32)19(30)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-34-23-21(24(29)33)22(25)26-14-27-23/h6-9,14-16H,2-5,10-13H2,1H3,(H,31,32)(H2,25,26,27)/t15-,16- | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438724
(CHEMBL2414696)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CCC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(10.74,-43.8,;10.71,-45.35,;9.35,-46.09,;9.32,-47.63,;10.64,-48.44,;12,-47.69,;13.18,-48.7,;14.7,-48.38,;15.4,-47,;14.74,-45.58,;15.76,-44.38,;17.26,-44.66,;18.25,-43.5,;17.73,-42.02,;16.23,-41.78,;15.24,-42.95,;18.74,-40.83,;18.22,-39.39,;19.21,-38.22,;20.71,-38.46,;21.72,-37.27,;23.23,-37.55,;24.23,-36.37,;25.75,-36.65,;23.71,-34.91,;21.23,-39.93,;20.24,-41.1,;13.26,-45.22,;12.96,-43.7,;12.03,-46.15,)| Show InChI InChI=1S/C22H26N4O4/c23-20-19-21(25-13-24-20)30-12-11-26(22(19)29)17-8-6-16(7-9-17)15-4-1-14(2-5-15)3-10-18(27)28/h6-9,13-15H,1-5,10-12H2,(H,27,28)(H2,23,24,25)/t14-,15- | PDB
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438744
(CHEMBL2414700)Show SMILES NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:7.10,wD:4.3,(38.2,-37.65,;37.22,-38.85,;37.76,-40.29,;35.69,-38.61,;34.72,-39.81,;33.22,-39.6,;32.26,-40.78,;32.8,-42.2,;34.3,-42.45,;35.27,-41.26,;31.81,-43.41,;32.37,-44.88,;31.41,-46.06,;29.91,-45.81,;29.36,-44.39,;30.32,-43.21,;28.92,-47.03,;29.6,-48.43,;28.93,-49.82,;27.42,-50.17,;26.22,-49.19,;24.88,-49.96,;23.54,-49.18,;23.55,-47.64,;24.88,-46.88,;24.89,-45.33,;26.22,-47.65,;27.43,-46.69,;27.09,-45.19,)| Show InChI InChI=1S/C21H25N5O3/c22-17(27)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)26-9-10-29-20-18(21(26)28)19(23)24-12-25-20/h5-8,12-14H,1-4,9-11H2,(H2,22,27)(H2,23,24,25)/t13-,14- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438722
(CHEMBL2414685)Show SMILES CC1(C)CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1 |r,wU:11.11,wD:14.15,(25.71,-50.99,;24.21,-50.62,;24.18,-52.16,;24.9,-49.24,;24.24,-47.82,;25.24,-46.63,;26.75,-46.9,;27.73,-45.73,;27.2,-44.26,;25.71,-44.03,;24.73,-45.2,;28.2,-43.07,;27.67,-41.64,;28.65,-40.47,;30.15,-40.7,;31.14,-39.52,;32.66,-39.79,;33.66,-38.6,;33.19,-41.23,;30.68,-42.17,;29.7,-43.33,;22.76,-47.47,;22.45,-45.96,;21.54,-48.41,;20.22,-47.62,;20.25,-46.08,;18.87,-48.36,;18.83,-49.91,;20.16,-50.7,;21.52,-49.95,;22.7,-50.94,)| Show InChI InChI=1S/C23H28N4O4/c1-23(2)12-27(22(30)19-20(24)25-13-26-21(19)31-23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(28)29/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,28,29)(H2,24,25,26)/t14-,15- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438745
(CHEMBL2414699)Show SMILES COC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:8.11,wD:5.4,(26.42,-40.68,;24.89,-40.46,;24.32,-39.03,;25.27,-37.83,;22.8,-38.81,;21.82,-40.05,;20.3,-39.83,;19.34,-41.03,;19.93,-42.49,;21.42,-42.68,;22.38,-41.48,;18.94,-43.73,;17.42,-43.5,;16.46,-44.71,;17.03,-46.16,;18.55,-46.36,;19.51,-45.16,;16.07,-47.38,;16.77,-48.78,;16.1,-50.19,;14.59,-50.56,;13.37,-49.59,;12.03,-50.39,;10.67,-49.62,;10.65,-48.07,;11.99,-47.27,;11.98,-45.72,;13.35,-48.04,;14.55,-47.05,;14.19,-45.54,)| Show InChI InChI=1S/C22H26N4O4/c1-29-18(27)12-14-2-4-15(5-3-14)16-6-8-17(9-7-16)26-10-11-30-21-19(22(26)28)20(23)24-13-25-21/h6-9,13-15H,2-5,10-12H2,1H3,(H2,23,24,25)/t14-,15- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438744
(CHEMBL2414700)Show SMILES NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:7.10,wD:4.3,(38.2,-37.65,;37.22,-38.85,;37.76,-40.29,;35.69,-38.61,;34.72,-39.81,;33.22,-39.6,;32.26,-40.78,;32.8,-42.2,;34.3,-42.45,;35.27,-41.26,;31.81,-43.41,;32.37,-44.88,;31.41,-46.06,;29.91,-45.81,;29.36,-44.39,;30.32,-43.21,;28.92,-47.03,;29.6,-48.43,;28.93,-49.82,;27.42,-50.17,;26.22,-49.19,;24.88,-49.96,;23.54,-49.18,;23.55,-47.64,;24.88,-46.88,;24.89,-45.33,;26.22,-47.65,;27.43,-46.69,;27.09,-45.19,)| Show InChI InChI=1S/C21H25N5O3/c22-17(27)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)26-9-10-29-20-18(21(26)28)19(23)24-12-25-20/h5-8,12-14H,1-4,9-11H2,(H2,22,27)(H2,23,24,25)/t13-,14- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438730
(CHEMBL2414675)Show SMILES Cc1noc(CC[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:10.13,wD:7.6,(40.74,-42.42,;39.26,-42.85,;38.05,-41.9,;36.77,-42.77,;37.22,-44.27,;36.25,-45.5,;34.74,-45.28,;33.77,-46.51,;32.26,-46.28,;31.32,-47.48,;31.9,-48.94,;33.39,-49.12,;34.34,-47.92,;30.94,-50.16,;29.42,-49.94,;28.48,-51.14,;29.05,-52.58,;30.56,-52.78,;31.5,-51.58,;28.09,-53.79,;28.79,-55.18,;28.14,-56.58,;26.64,-56.95,;25.42,-55.99,;24.09,-56.78,;22.74,-56.03,;22.72,-54.49,;24.05,-53.7,;24.03,-52.16,;25.4,-54.45,;26.59,-53.47,;26.22,-51.97,;38.74,-44.3,)| Show InChI InChI=1S/C24H28N6O3/c1-15-28-20(33-29-15)11-4-16-2-5-17(6-3-16)18-7-9-19(10-8-18)30-12-13-32-23-21(24(30)31)22(25)26-14-27-23/h7-10,14,16-17H,2-6,11-13H2,1H3,(H2,25,26,27)/t16-,17- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438731
(CHEMBL2414669)Show SMILES CC(C)(N)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:8.11,wD:5.4,(38.06,-43.71,;37.56,-42.25,;38.58,-41.09,;39.04,-42.64,;36.07,-41.95,;35.03,-43.12,;33.53,-42.83,;32.52,-43.97,;33.02,-45.46,;34.51,-45.72,;35.52,-44.57,;31.99,-46.63,;30.49,-46.33,;29.47,-47.49,;29.97,-48.96,;31.47,-49.23,;32.48,-48.08,;28.95,-50.12,;29.57,-51.55,;28.84,-52.91,;27.32,-53.2,;26.15,-52.17,;24.77,-52.9,;23.47,-52.08,;23.53,-50.52,;24.9,-49.81,;24.96,-48.26,;26.21,-50.64,;27.46,-49.72,;27.18,-48.2,)| Show InChI InChI=1S/C23H31N5O2/c1-23(2,25)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-11-12-30-21-19(22(28)29)20(24)26-14-27-21/h7-10,14-16H,3-6,11-13,25H2,1-2H3,(H2,24,26,27)/t15-,16- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438733
(CHEMBL2414667)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC#N)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(28.43,-50.53,;28.37,-52.07,;27.01,-52.81,;26.96,-54.35,;28.27,-55.17,;29.63,-54.44,;30.8,-55.45,;32.31,-55.15,;33.03,-53.79,;32.4,-52.36,;33.42,-51.18,;34.91,-51.47,;35.91,-50.32,;35.41,-48.84,;33.93,-48.59,;32.93,-49.74,;36.43,-47.66,;35.94,-46.22,;36.94,-45.07,;38.43,-45.32,;39.44,-44.16,;40.96,-44.45,;42.47,-44.74,;38.94,-46.8,;37.93,-47.95,;30.93,-51.98,;30.63,-50.46,;29.68,-52.89,)| Show InChI InChI=1S/C21H23N5O2/c22-10-9-14-1-3-15(4-2-14)16-5-7-17(8-6-16)26-11-12-28-20-18(21(26)27)19(23)24-13-25-20/h5-8,13-15H,1-4,9,11-12H2,(H2,23,24,25)/t14-,15- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438723
(CHEMBL2414691)Show InChI InChI=1S/C17H20N4O2/c1-17(2,3)11-4-6-12(7-5-11)21-8-9-23-15-13(16(21)22)14(18)19-10-20-15/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438736
(CHEMBL2414678)Show SMILES Cc1nc(N)c2c(OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C2=O)n1 |r,wU:17.17,wD:20.21,(19.91,-46.4,;21.27,-45.67,;21.32,-44.12,;22.68,-43.39,;22.73,-41.85,;23.99,-44.21,;23.95,-45.74,;25.12,-46.75,;26.64,-46.45,;27.35,-45.08,;26.71,-43.66,;27.73,-42.47,;29.23,-42.76,;30.23,-41.6,;29.71,-40.12,;28.22,-39.87,;27.23,-41.03,;30.73,-38.94,;30.23,-37.5,;31.23,-36.34,;32.72,-36.6,;33.73,-35.42,;35.24,-35.71,;35.75,-37.16,;36.26,-34.54,;33.23,-38.06,;32.23,-39.22,;25.23,-43.28,;24.94,-41.76,;22.58,-46.48,)| Show InChI InChI=1S/C22H26N4O4/c1-13-24-20(23)19-21(25-13)30-11-10-26(22(19)29)17-8-6-16(7-9-17)15-4-2-14(3-5-15)12-18(27)28/h6-9,14-15H,2-5,10-12H2,1H3,(H,27,28)(H2,23,24,25)/t14-,15- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438725
(CHEMBL2414652)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CCCC4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(21.03,-46.19,;21.01,-47.73,;19.67,-48.48,;19.65,-50.03,;20.99,-50.81,;22.33,-50.05,;23.52,-51.03,;25.04,-50.71,;25.72,-49.32,;25.04,-47.91,;26.04,-46.71,;27.54,-46.96,;28.51,-45.79,;27.97,-44.32,;26.48,-44.11,;25.51,-45.28,;28.96,-43.12,;28.43,-41.7,;29.4,-40.52,;30.9,-40.74,;31.88,-39.55,;33.4,-39.81,;33.94,-41.25,;34.39,-38.62,;35.93,-38.71,;36.51,-37.26,;35.31,-36.27,;34,-37.1,;31.44,-42.2,;30.46,-43.38,;23.56,-47.57,;23.23,-46.06,;22.34,-48.52,)| Show InChI InChI=1S/C25H31N5O3/c26-23-22-24(28-16-27-23)33-14-13-30(25(22)32)20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-21(31)29-11-1-2-12-29/h7-10,16-18H,1-6,11-15H2,(H2,26,27,28)/t17-,18- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438732
(CHEMBL2414656)Show SMILES COC1CCN(CC1)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:14.18,wD:11.11,(50.69,-40.93,;49.17,-40.68,;48.17,-41.89,;46.66,-41.63,;45.68,-42.82,;46.22,-44.29,;47.73,-44.51,;48.71,-43.33,;45.22,-45.51,;45.76,-46.95,;43.71,-45.25,;42.71,-46.47,;41.19,-46.22,;40.21,-47.4,;40.76,-48.87,;42.26,-49.09,;43.23,-47.91,;39.75,-50.09,;38.24,-49.84,;37.25,-51.03,;37.8,-52.48,;39.31,-52.71,;40.29,-51.53,;36.8,-53.69,;37.47,-55.1,;36.78,-56.5,;35.26,-56.83,;34.06,-55.83,;32.7,-56.61,;31.36,-55.82,;31.37,-54.26,;32.73,-53.49,;32.75,-51.94,;34.07,-54.29,;35.3,-53.33,;34.97,-51.8,)| Show InChI InChI=1S/C27H35N5O4/c1-35-22-10-12-31(13-11-22)23(33)16-18-2-4-19(5-3-18)20-6-8-21(9-7-20)32-14-15-36-26-24(27(32)34)25(28)29-17-30-26/h6-9,17-19,22H,2-5,10-16H2,1H3,(H2,28,29,30)/t18-,19- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438737
(CHEMBL2414668)Show SMILES CC(C)(O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:8.11,wD:5.4,(35.63,-43.7,;35.14,-42.24,;36.17,-41.09,;36.63,-42.63,;33.64,-41.93,;32.61,-43.1,;31.12,-42.8,;30.1,-43.94,;30.6,-45.42,;32.08,-45.69,;33.1,-44.55,;29.56,-46.59,;28.07,-46.29,;27.05,-47.44,;27.54,-48.91,;29.04,-49.19,;30.05,-48.04,;26.52,-50.06,;27.13,-51.49,;26.4,-52.84,;24.87,-53.12,;23.72,-52.1,;22.34,-52.82,;21.04,-51.99,;21.11,-50.45,;22.47,-49.73,;22.54,-48.19,;23.78,-50.56,;25.03,-49.66,;24.75,-48.13,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2,29)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)27-11-12-30-21-19(22(27)28)20(24)25-14-26-21/h7-10,14-16,29H,3-6,11-13H2,1-2H3,(H2,24,25,26)/t15-,16- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438721
(CHEMBL2414653)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC[C@@H](O)C4)CC3)C(=O)c12 |r,wU:16.16,wD:26.27,19.20,(19.71,-48.18,;19.76,-49.73,;18.45,-50.55,;18.5,-52.09,;19.87,-52.82,;21.18,-51.99,;22.42,-52.92,;23.92,-52.52,;24.53,-51.1,;23.81,-49.73,;24.74,-48.5,;24.14,-47.07,;25.06,-45.84,;26.57,-46.03,;27.17,-47.43,;26.26,-48.65,;27.51,-44.78,;26.9,-43.34,;27.82,-42.12,;29.33,-42.3,;30.27,-41.05,;31.78,-41.23,;32.38,-42.64,;32.72,-39.99,;34.25,-39.98,;34.73,-38.52,;33.5,-37.6,;33.51,-36.06,;32.24,-38.5,;29.93,-43.7,;29.01,-44.92,;22.3,-49.44,;21.9,-47.96,;21.13,-50.45,)| Show InChI InChI=1S/C25H31N5O4/c26-23-22-24(28-15-27-23)34-12-11-30(25(22)33)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-21(32)29-10-9-20(31)14-29/h5-8,15-17,20,31H,1-4,9-14H2,(H2,26,27,28)/t16-,17-,20-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438736
(CHEMBL2414678)Show SMILES Cc1nc(N)c2c(OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C2=O)n1 |r,wU:17.17,wD:20.21,(19.91,-46.4,;21.27,-45.67,;21.32,-44.12,;22.68,-43.39,;22.73,-41.85,;23.99,-44.21,;23.95,-45.74,;25.12,-46.75,;26.64,-46.45,;27.35,-45.08,;26.71,-43.66,;27.73,-42.47,;29.23,-42.76,;30.23,-41.6,;29.71,-40.12,;28.22,-39.87,;27.23,-41.03,;30.73,-38.94,;30.23,-37.5,;31.23,-36.34,;32.72,-36.6,;33.73,-35.42,;35.24,-35.71,;35.75,-37.16,;36.26,-34.54,;33.23,-38.06,;32.23,-39.22,;25.23,-43.28,;24.94,-41.76,;22.58,-46.48,)| Show InChI InChI=1S/C22H26N4O4/c1-13-24-20(23)19-21(25-13)30-11-10-26(22(19)29)17-8-6-16(7-9-17)15-4-2-14(3-5-15)12-18(27)28/h6-9,14-15H,2-5,10-12H2,1H3,(H,27,28)(H2,23,24,25)/t14-,15- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438735
(CHEMBL2414670)Show SMILES Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:9.12,wD:6.5,(36.55,-43.27,;35.45,-42.18,;35.71,-40.66,;34.32,-39.96,;33.22,-41.07,;31.72,-40.82,;30.73,-42.03,;29.22,-41.78,;28.26,-42.96,;28.81,-44.42,;30.3,-44.64,;31.27,-43.46,;27.82,-45.63,;26.31,-45.38,;25.34,-46.57,;25.88,-48.02,;27.38,-48.24,;28.35,-47.06,;24.9,-49.22,;25.54,-50.6,;24.91,-52.01,;23.38,-52.34,;22.18,-51.36,;20.84,-52.13,;19.5,-51.35,;19.51,-49.8,;20.86,-49.04,;20.86,-47.5,;22.19,-49.82,;23.4,-48.87,;23.07,-47.35,;33.93,-42.42,)| Show InChI InChI=1S/C23H26N6O3/c1-14-27-19(32-28-14)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-31-22-20(23(29)30)21(24)25-13-26-22/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,24,25,26)/t15-,16- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438727
(CHEMBL2414654)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CCOCC4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(26.47,-50.14,;26.49,-51.7,;25.15,-52.5,;25.18,-54.05,;26.53,-54.81,;27.88,-54.01,;29.1,-54.96,;30.61,-54.6,;31.26,-53.18,;30.57,-51.79,;31.53,-50.57,;30.95,-49.12,;31.9,-47.91,;33.42,-48.13,;34,-49.55,;33.05,-50.76,;34.4,-46.89,;33.81,-45.43,;34.76,-44.22,;36.28,-44.44,;37.25,-43.2,;38.77,-43.42,;39.34,-44.85,;39.75,-42.18,;39.16,-40.72,;40.11,-39.51,;41.63,-39.73,;42.2,-41.16,;41.25,-42.36,;36.85,-45.87,;35.9,-47.07,;29.05,-51.47,;28.68,-49.96,;27.85,-52.45,)| Show InChI InChI=1S/C25H31N5O4/c26-23-22-24(28-16-27-23)34-14-11-30(25(22)32)20-7-5-19(6-8-20)18-3-1-17(2-4-18)15-21(31)29-9-12-33-13-10-29/h5-8,16-18H,1-4,9-15H2,(H2,26,27,28)/t17-,18- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438734
(CHEMBL2414751)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)NC4CCCC4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(18.45,-49.67,;18.43,-51.23,;17.08,-51.99,;17.06,-53.55,;18.41,-54.34,;19.76,-53.56,;20.96,-54.56,;22.49,-54.23,;23.17,-52.83,;22.49,-51.41,;23.5,-50.2,;25.01,-50.45,;25.99,-49.27,;25.44,-47.79,;23.94,-47.58,;22.96,-48.76,;26.44,-46.58,;25.91,-45.15,;26.89,-43.96,;28.39,-44.18,;29.39,-42.99,;30.92,-43.25,;31.46,-44.69,;31.91,-42.04,;33.43,-42.3,;34.11,-43.68,;35.64,-43.46,;35.9,-41.94,;34.54,-41.22,;28.94,-45.65,;27.95,-46.84,;20.99,-51.06,;20.67,-49.54,;19.77,-52.02,)| Show InChI InChI=1S/C26H33N5O3/c27-24-23-25(29-16-28-24)34-14-13-31(26(23)33)21-11-9-19(10-12-21)18-7-5-17(6-8-18)15-22(32)30-20-3-1-2-4-20/h9-12,16-18,20H,1-8,13-15H2,(H,30,32)(H2,27,28,29)/t17-,18- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438733
(CHEMBL2414667)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC#N)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(28.43,-50.53,;28.37,-52.07,;27.01,-52.81,;26.96,-54.35,;28.27,-55.17,;29.63,-54.44,;30.8,-55.45,;32.31,-55.15,;33.03,-53.79,;32.4,-52.36,;33.42,-51.18,;34.91,-51.47,;35.91,-50.32,;35.41,-48.84,;33.93,-48.59,;32.93,-49.74,;36.43,-47.66,;35.94,-46.22,;36.94,-45.07,;38.43,-45.32,;39.44,-44.16,;40.96,-44.45,;42.47,-44.74,;38.94,-46.8,;37.93,-47.95,;30.93,-51.98,;30.63,-50.46,;29.68,-52.89,)| Show InChI InChI=1S/C21H23N5O2/c22-10-9-14-1-3-15(4-2-14)16-5-7-17(8-6-16)26-11-12-28-20-18(21(26)27)19(23)24-13-25-20/h5-8,13-15H,1-4,9,11-12H2,(H2,23,24,25)/t14-,15- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438732
(CHEMBL2414656)Show SMILES COC1CCN(CC1)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:14.18,wD:11.11,(50.69,-40.93,;49.17,-40.68,;48.17,-41.89,;46.66,-41.63,;45.68,-42.82,;46.22,-44.29,;47.73,-44.51,;48.71,-43.33,;45.22,-45.51,;45.76,-46.95,;43.71,-45.25,;42.71,-46.47,;41.19,-46.22,;40.21,-47.4,;40.76,-48.87,;42.26,-49.09,;43.23,-47.91,;39.75,-50.09,;38.24,-49.84,;37.25,-51.03,;37.8,-52.48,;39.31,-52.71,;40.29,-51.53,;36.8,-53.69,;37.47,-55.1,;36.78,-56.5,;35.26,-56.83,;34.06,-55.83,;32.7,-56.61,;31.36,-55.82,;31.37,-54.26,;32.73,-53.49,;32.75,-51.94,;34.07,-54.29,;35.3,-53.33,;34.97,-51.8,)| Show InChI InChI=1S/C27H35N5O4/c1-35-22-10-12-31(13-11-22)23(33)16-18-2-4-19(5-3-18)20-6-8-21(9-7-20)32-14-15-36-26-24(27(32)34)25(28)29-17-30-26/h6-9,17-19,22H,2-5,10-16H2,1H3,(H2,28,29,30)/t18-,19- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438729
(CHEMBL2414651)Show SMILES CC(C)[C@H](CO)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:3.5,13.16,wD:10.9,(35.51,-41.58,;36.49,-40.39,;38.01,-40.66,;35.96,-38.95,;36.95,-37.77,;38.47,-38.03,;34.45,-38.69,;33.46,-39.89,;34,-41.32,;31.94,-39.63,;30.96,-40.82,;29.46,-40.6,;28.48,-41.77,;29.01,-43.2,;30.52,-43.46,;31.49,-42.28,;28.02,-44.41,;28.56,-45.87,;27.59,-47.05,;26.09,-46.8,;25.56,-45.37,;26.53,-44.19,;25.09,-48,;25.76,-49.42,;25.08,-50.8,;23.56,-51.13,;22.37,-50.14,;21.03,-50.91,;19.69,-50.13,;19.71,-48.57,;21.05,-47.82,;21.07,-46.28,;22.38,-48.61,;23.6,-47.66,;23.28,-46.14,)| Show InChI InChI=1S/C26H35N5O4/c1-16(2)21(14-32)30-22(33)13-17-3-5-18(6-4-17)19-7-9-20(10-8-19)31-11-12-35-25-23(26(31)34)24(27)28-15-29-25/h7-10,15-18,21,32H,3-6,11-14H2,1-2H3,(H,30,33)(H2,27,28,29)/t17-,18-,21-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438731
(CHEMBL2414669)Show SMILES CC(C)(N)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:8.11,wD:5.4,(38.06,-43.71,;37.56,-42.25,;38.58,-41.09,;39.04,-42.64,;36.07,-41.95,;35.03,-43.12,;33.53,-42.83,;32.52,-43.97,;33.02,-45.46,;34.51,-45.72,;35.52,-44.57,;31.99,-46.63,;30.49,-46.33,;29.47,-47.49,;29.97,-48.96,;31.47,-49.23,;32.48,-48.08,;28.95,-50.12,;29.57,-51.55,;28.84,-52.91,;27.32,-53.2,;26.15,-52.17,;24.77,-52.9,;23.47,-52.08,;23.53,-50.52,;24.9,-49.81,;24.96,-48.26,;26.21,-50.64,;27.46,-49.72,;27.18,-48.2,)| Show InChI InChI=1S/C23H31N5O2/c1-23(2,25)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-11-12-30-21-19(22(28)29)20(24)26-14-27-21/h7-10,14-16H,3-6,11-13,25H2,1-2H3,(H2,24,26,27)/t15-,16- | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438730
(CHEMBL2414675)Show SMILES Cc1noc(CC[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:10.13,wD:7.6,(40.74,-42.42,;39.26,-42.85,;38.05,-41.9,;36.77,-42.77,;37.22,-44.27,;36.25,-45.5,;34.74,-45.28,;33.77,-46.51,;32.26,-46.28,;31.32,-47.48,;31.9,-48.94,;33.39,-49.12,;34.34,-47.92,;30.94,-50.16,;29.42,-49.94,;28.48,-51.14,;29.05,-52.58,;30.56,-52.78,;31.5,-51.58,;28.09,-53.79,;28.79,-55.18,;28.14,-56.58,;26.64,-56.95,;25.42,-55.99,;24.09,-56.78,;22.74,-56.03,;22.72,-54.49,;24.05,-53.7,;24.03,-52.16,;25.4,-54.45,;26.59,-53.47,;26.22,-51.97,;38.74,-44.3,)| Show InChI InChI=1S/C24H28N6O3/c1-15-28-20(33-29-15)11-4-16-2-5-17(6-3-16)18-7-9-19(10-8-18)30-12-13-32-23-21(24(30)31)22(25)26-14-27-23/h7-10,14,16-17H,2-6,11-13H2,1H3,(H2,25,26,27)/t16-,17- | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438705
(CHEMBL2414698)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](Cc4nnn[nH]4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(23.78,-52.15,;23.8,-53.69,;22.46,-54.48,;22.48,-56.03,;23.83,-56.79,;25.16,-56,;26.38,-56.96,;27.89,-56.59,;28.55,-55.2,;27.85,-53.8,;28.81,-52.58,;28.25,-51.14,;29.2,-49.94,;30.71,-50.17,;31.28,-51.59,;30.33,-52.79,;31.69,-48.94,;31.11,-47.48,;32.06,-46.28,;33.57,-46.51,;34.55,-45.27,;36.06,-45.49,;37.13,-44.36,;38.53,-45.04,;38.31,-46.57,;36.79,-46.84,;34.13,-47.92,;33.18,-49.12,;26.35,-53.47,;25.99,-51.97,;25.15,-54.45,)| Show InChI InChI=1S/C21H24N8O2/c22-19-18-20(24-12-23-19)31-10-9-29(21(18)30)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17-25-27-28-26-17/h5-8,12-14H,1-4,9-11H2,(H2,22,23,24)(H,25,26,27,28)/t13-,14- | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438702
(CHEMBL2414665)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3ccno3)C(=O)c12 Show InChI InChI=1S/C22H22N6O4/c23-19-18-20(25-13-24-19)31-12-11-28(22(18)30)16-3-1-14(2-4-16)15-6-9-27(10-7-15)21(29)17-5-8-26-32-17/h1-5,8,13,15H,6-7,9-12H2,(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438717
(CHEMBL2414657)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC(O)C4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(24.81,-51.13,;24.79,-52.69,;23.43,-53.45,;23.41,-55.01,;24.75,-55.8,;26.11,-55.03,;27.3,-56.03,;28.82,-55.7,;29.52,-54.31,;28.86,-52.9,;29.86,-51.7,;29.31,-50.24,;30.3,-49.05,;31.81,-49.32,;32.35,-50.76,;31.37,-51.93,;32.82,-48.1,;32.28,-46.63,;33.26,-45.45,;34.77,-45.71,;35.78,-44.5,;37.29,-44.76,;37.82,-46.2,;38.3,-43.55,;38.16,-41.99,;39.67,-41.85,;40.67,-40.64,;39.81,-43.38,;35.3,-47.15,;34.32,-48.33,;27.36,-52.53,;27.03,-51.01,;26.12,-53.48,)| Show InChI InChI=1S/C24H29N5O4/c25-22-21-23(27-14-26-22)33-10-9-29(24(21)32)18-7-5-17(6-8-18)16-3-1-15(2-4-16)11-20(31)28-12-19(30)13-28/h5-8,14-16,19,30H,1-4,9-13H2,(H2,25,26,27)/t15-,16- | PDB
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UniChem
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| Article
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438710
(CHEMBL2414661)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)C3CCCCC3)C(=O)c12 Show InChI InChI=1S/C25H31N5O3/c26-22-21-23(28-16-27-22)33-15-14-30(25(21)32)20-8-6-17(7-9-20)18-10-12-29(13-11-18)24(31)19-4-2-1-3-5-19/h6-9,16,18-19H,1-5,10-15H2,(H2,26,27,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438729
(CHEMBL2414651)Show SMILES CC(C)[C@H](CO)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:3.5,13.16,wD:10.9,(35.51,-41.58,;36.49,-40.39,;38.01,-40.66,;35.96,-38.95,;36.95,-37.77,;38.47,-38.03,;34.45,-38.69,;33.46,-39.89,;34,-41.32,;31.94,-39.63,;30.96,-40.82,;29.46,-40.6,;28.48,-41.77,;29.01,-43.2,;30.52,-43.46,;31.49,-42.28,;28.02,-44.41,;28.56,-45.87,;27.59,-47.05,;26.09,-46.8,;25.56,-45.37,;26.53,-44.19,;25.09,-48,;25.76,-49.42,;25.08,-50.8,;23.56,-51.13,;22.37,-50.14,;21.03,-50.91,;19.69,-50.13,;19.71,-48.57,;21.05,-47.82,;21.07,-46.28,;22.38,-48.61,;23.6,-47.66,;23.28,-46.14,)| Show InChI InChI=1S/C26H35N5O4/c1-16(2)21(14-32)30-22(33)13-17-3-5-18(6-4-17)19-7-9-20(10-8-19)31-11-12-35-25-23(26(31)34)24(27)28-15-29-25/h7-10,15-18,21,32H,3-6,11-14H2,1-2H3,(H,30,33)(H2,27,28,29)/t17-,18-,21-/m0/s1 | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438716
(CHEMBL2414664)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3ccccc3)C(=O)c12 Show InChI InChI=1S/C25H25N5O3/c26-22-21-23(28-16-27-22)33-15-14-30(25(21)32)20-8-6-17(7-9-20)18-10-12-29(13-11-18)24(31)19-4-2-1-3-5-19/h1-9,16,18H,10-15H2,(H2,26,27,28) | PDB
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| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438727
(CHEMBL2414654)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CCOCC4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(26.47,-50.14,;26.49,-51.7,;25.15,-52.5,;25.18,-54.05,;26.53,-54.81,;27.88,-54.01,;29.1,-54.96,;30.61,-54.6,;31.26,-53.18,;30.57,-51.79,;31.53,-50.57,;30.95,-49.12,;31.9,-47.91,;33.42,-48.13,;34,-49.55,;33.05,-50.76,;34.4,-46.89,;33.81,-45.43,;34.76,-44.22,;36.28,-44.44,;37.25,-43.2,;38.77,-43.42,;39.34,-44.85,;39.75,-42.18,;39.16,-40.72,;40.11,-39.51,;41.63,-39.73,;42.2,-41.16,;41.25,-42.36,;36.85,-45.87,;35.9,-47.07,;29.05,-51.47,;28.68,-49.96,;27.85,-52.45,)| Show InChI InChI=1S/C25H31N5O4/c26-23-22-24(28-16-27-23)34-14-11-30(25(22)32)20-7-5-19(6-8-20)18-3-1-17(2-4-18)15-21(31)29-9-12-33-13-10-29/h5-8,16-18H,1-4,9-15H2,(H2,26,27,28)/t17-,18- | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438728
(CHEMBL2414701)Show SMILES CCNC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:9.12,wD:6.5,(39.91,-37.08,;38.91,-38.29,;37.4,-38.03,;36.41,-39.22,;36.95,-40.66,;34.89,-38.97,;33.9,-40.16,;32.4,-39.94,;31.43,-41.11,;31.96,-42.54,;33.46,-42.8,;34.44,-41.62,;30.96,-43.75,;31.5,-45.22,;30.53,-46.39,;29.03,-46.14,;28.5,-44.71,;29.47,-43.53,;28.03,-47.34,;28.71,-48.76,;28.02,-50.15,;26.5,-50.48,;25.31,-49.49,;23.96,-50.25,;22.63,-49.47,;22.65,-47.92,;23.99,-47.16,;24.01,-45.62,;25.32,-47.95,;26.54,-47,;26.22,-45.49,)| Show InChI InChI=1S/C23H29N5O3/c1-2-25-19(29)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-11-12-31-22-20(23(28)30)21(24)26-14-27-22/h7-10,14-16H,2-6,11-13H2,1H3,(H,25,29)(H2,24,26,27)/t15-,16- | PDB
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| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438726
(CHEMBL2414684)Show SMILES Nc1ccnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(25.66,-48.71,;25.59,-50.24,;24.22,-50.95,;24.14,-52.49,;25.45,-53.32,;26.82,-52.61,;27.98,-53.64,;29.5,-53.36,;30.23,-52,;29.61,-50.57,;30.65,-49.4,;32.14,-49.71,;33.15,-48.57,;32.66,-47.09,;31.18,-46.82,;30.16,-47.95,;33.7,-45.92,;33.22,-44.48,;34.23,-43.34,;35.72,-43.61,;36.75,-42.46,;38.25,-42.77,;39.29,-41.61,;38.74,-44.22,;36.2,-45.09,;35.19,-46.23,;28.14,-50.17,;27.87,-48.65,;26.89,-51.08,)| Show InChI InChI=1S/C22H25N3O4/c23-18-9-10-24-21-20(18)22(28)25(11-12-29-21)17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-19(26)27/h5-10,14-15H,1-4,11-13H2,(H2,23,24)(H,26,27)/t14-,15- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438725
(CHEMBL2414652)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CCCC4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(21.03,-46.19,;21.01,-47.73,;19.67,-48.48,;19.65,-50.03,;20.99,-50.81,;22.33,-50.05,;23.52,-51.03,;25.04,-50.71,;25.72,-49.32,;25.04,-47.91,;26.04,-46.71,;27.54,-46.96,;28.51,-45.79,;27.97,-44.32,;26.48,-44.11,;25.51,-45.28,;28.96,-43.12,;28.43,-41.7,;29.4,-40.52,;30.9,-40.74,;31.88,-39.55,;33.4,-39.81,;33.94,-41.25,;34.39,-38.62,;35.93,-38.71,;36.51,-37.26,;35.31,-36.27,;34,-37.1,;31.44,-42.2,;30.46,-43.38,;23.56,-47.57,;23.23,-46.06,;22.34,-48.52,)| Show InChI InChI=1S/C25H31N5O3/c26-23-22-24(28-16-27-23)33-14-13-30(25(22)32)20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-21(31)29-11-1-2-12-29/h7-10,16-18H,1-6,11-15H2,(H2,26,27,28)/t17-,18- | PDB
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| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438709
(CHEMBL2413095)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12 |r,wD:27.29,24.25,(28.24,-51.09,;28.26,-52.64,;26.93,-53.42,;26.95,-54.96,;28.29,-55.72,;29.63,-54.93,;30.83,-55.89,;32.34,-55.52,;33,-54.13,;32.31,-52.74,;33.27,-51.52,;32.69,-50.09,;33.64,-48.89,;35.15,-49.11,;35.72,-50.53,;34.77,-51.73,;36.13,-47.88,;37.64,-48.1,;38.61,-46.88,;38.03,-45.42,;36.49,-45.24,;35.55,-46.43,;38.97,-44.23,;40.49,-44.45,;38.4,-42.78,;36.85,-42.54,;36.29,-41.13,;37.24,-39.93,;36.66,-38.49,;38.74,-40.15,;39.31,-41.57,;30.81,-52.41,;30.44,-50.91,;29.61,-53.39,)| Show InChI InChI=1S/C25H31N5O4/c26-22-21-23(28-15-27-22)34-14-13-30(25(21)33)19-5-1-16(2-6-19)17-9-11-29(12-10-17)24(32)18-3-7-20(31)8-4-18/h1-2,5-6,15,17-18,20,31H,3-4,7-14H2,(H2,26,27,28)/t18-,20+ | PDB
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PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438724
(CHEMBL2414696)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CCC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(10.74,-43.8,;10.71,-45.35,;9.35,-46.09,;9.32,-47.63,;10.64,-48.44,;12,-47.69,;13.18,-48.7,;14.7,-48.38,;15.4,-47,;14.74,-45.58,;15.76,-44.38,;17.26,-44.66,;18.25,-43.5,;17.73,-42.02,;16.23,-41.78,;15.24,-42.95,;18.74,-40.83,;18.22,-39.39,;19.21,-38.22,;20.71,-38.46,;21.72,-37.27,;23.23,-37.55,;24.23,-36.37,;25.75,-36.65,;23.71,-34.91,;21.23,-39.93,;20.24,-41.1,;13.26,-45.22,;12.96,-43.7,;12.03,-46.15,)| Show InChI InChI=1S/C22H26N4O4/c23-20-19-21(25-13-24-20)30-12-11-26(22(19)29)17-8-6-16(7-9-17)15-4-1-14(2-5-15)3-10-18(27)28/h6-9,13-15H,1-5,10-12H2,(H,27,28)(H2,23,24,25)/t14-,15- | PDB
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PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438723
(CHEMBL2414691)Show InChI InChI=1S/C17H20N4O2/c1-17(2,3)11-4-6-12(7-5-11)21-8-9-23-15-13(16(21)22)14(18)19-10-20-15/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438722
(CHEMBL2414685)Show SMILES CC1(C)CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1 |r,wU:11.11,wD:14.15,(25.71,-50.99,;24.21,-50.62,;24.18,-52.16,;24.9,-49.24,;24.24,-47.82,;25.24,-46.63,;26.75,-46.9,;27.73,-45.73,;27.2,-44.26,;25.71,-44.03,;24.73,-45.2,;28.2,-43.07,;27.67,-41.64,;28.65,-40.47,;30.15,-40.7,;31.14,-39.52,;32.66,-39.79,;33.66,-38.6,;33.19,-41.23,;30.68,-42.17,;29.7,-43.33,;22.76,-47.47,;22.45,-45.96,;21.54,-48.41,;20.22,-47.62,;20.25,-46.08,;18.87,-48.36,;18.83,-49.91,;20.16,-50.7,;21.52,-49.95,;22.7,-50.94,)| Show InChI InChI=1S/C23H28N4O4/c1-23(2)12-27(22(30)19-20(24)25-13-26-21(19)31-23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(28)29/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,28,29)(H2,24,25,26)/t14-,15- | PDB
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antibodypedia
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| CHEMBL
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| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438721
(CHEMBL2414653)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC[C@@H](O)C4)CC3)C(=O)c12 |r,wU:16.16,wD:26.27,19.20,(19.71,-48.18,;19.76,-49.73,;18.45,-50.55,;18.5,-52.09,;19.87,-52.82,;21.18,-51.99,;22.42,-52.92,;23.92,-52.52,;24.53,-51.1,;23.81,-49.73,;24.74,-48.5,;24.14,-47.07,;25.06,-45.84,;26.57,-46.03,;27.17,-47.43,;26.26,-48.65,;27.51,-44.78,;26.9,-43.34,;27.82,-42.12,;29.33,-42.3,;30.27,-41.05,;31.78,-41.23,;32.38,-42.64,;32.72,-39.99,;34.25,-39.98,;34.73,-38.52,;33.5,-37.6,;33.51,-36.06,;32.24,-38.5,;29.93,-43.7,;29.01,-44.92,;22.3,-49.44,;21.9,-47.96,;21.13,-50.45,)| Show InChI InChI=1S/C25H31N5O4/c26-23-22-24(28-15-27-23)34-12-11-30(25(22)33)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-21(32)29-10-9-20(31)14-29/h5-8,15-17,20,31H,1-4,9-14H2,(H2,26,27,28)/t16-,17-,20-/m1/s1 | PDB
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| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438720
(CHEMBL2414655)Show SMILES CN1CCN(CC1=O)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:14.18,wD:11.11,(42.23,-35.63,;41.19,-36.81,;41.69,-38.27,;40.68,-39.42,;39.19,-39.16,;38.68,-37.67,;39.69,-36.51,;39.19,-35.03,;38.15,-40.35,;38.64,-41.8,;36.64,-40.05,;35.61,-41.23,;34.1,-40.93,;33.09,-42.09,;33.59,-43.58,;35.09,-43.84,;36.1,-42.68,;32.56,-44.76,;31.05,-44.46,;30.03,-45.62,;30.54,-47.1,;32.04,-47.37,;33.06,-46.22,;29.51,-48.27,;30.13,-49.7,;29.4,-51.08,;27.87,-51.36,;26.7,-50.34,;25.32,-51.07,;24.01,-50.24,;24.07,-48.69,;25.44,-47.96,;25.5,-46.4,;26.75,-48.79,;28.01,-47.87,;27.73,-46.34,)| Show InChI InChI=1S/C26H32N6O4/c1-30-10-11-31(15-22(30)34)21(33)14-17-2-4-18(5-3-17)19-6-8-20(9-7-19)32-12-13-36-25-23(26(32)35)24(27)28-16-29-25/h6-9,16-18H,2-5,10-15H2,1H3,(H2,27,28,29)/t17-,18- | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438704
(CHEMBL2414666)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3ccon3)C(=O)c12 Show InChI InChI=1S/C22H22N6O4/c23-19-18-20(25-13-24-19)31-12-10-28(22(18)30)16-3-1-14(2-4-16)15-5-8-27(9-6-15)21(29)17-7-11-32-26-17/h1-4,7,11,13,15H,5-6,8-10,12H2,(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this
Ligand-Target Pair | |
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