Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50033998 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)) | BDBM27947
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)| Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/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 human DGAT-1-mediated triglyceride synthesis in the HT-29 cells by whole cell assay |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355144
(CHEMBL1834554)Show SMILES Nc1ncnc2OC[C@@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.19,8.12,wD:20.23,(-9.01,-11.21,;-9,-12.75,;-10.33,-13.52,;-10.33,-15.06,;-9,-15.83,;-7.66,-15.07,;-6.32,-15.83,;-4.98,-15.05,;-4.98,-13.5,;-6.33,-12.72,;-7.67,-13.51,;-3.65,-12.74,;-2.32,-13.49,;-.99,-12.71,;-1.01,-11.17,;-2.36,-10.41,;-3.68,-11.2,;.31,-10.39,;.29,-8.85,;1.62,-8.07,;2.96,-8.82,;4.29,-8.04,;5.63,-8.8,;5.64,-10.34,;6.96,-8.02,;2.98,-10.36,;1.66,-11.14,)| Show InChI InChI=1S/C20H23N3O4/c21-19-18-20(23-11-22-19)26-10-16(27-18)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-17(24)25/h5-8,11-13,16H,1-4,9-10H2,(H,24,25)(H2,21,22,23)/t12-,13-,16-/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-1-mediated triglyceride synthesis in the HT-29 cells by whole cell assay |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355145
(CHEMBL1833980)Show SMILES Nc1ncnc2OC[C@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.19,wD:20.23,8.12,(9.41,-10.55,;9.42,-12.09,;8.09,-12.86,;8.08,-14.41,;9.42,-15.18,;10.76,-14.41,;12.1,-15.18,;13.44,-14.4,;13.44,-12.85,;12.09,-12.07,;10.75,-12.86,;14.76,-12.08,;16.1,-12.84,;17.43,-12.06,;17.41,-10.51,;16.06,-9.76,;14.74,-10.55,;18.73,-9.73,;18.71,-8.2,;20.04,-7.41,;21.38,-8.17,;22.71,-7.39,;24.05,-8.15,;24.06,-9.69,;25.38,-7.36,;21.39,-9.71,;20.07,-10.49,)| Show InChI InChI=1S/C20H23N3O4/c21-19-18-20(23-11-22-19)26-10-16(27-18)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-17(24)25/h5-8,11-13,16H,1-4,9-10H2,(H,24,25)(H2,21,22,23)/t12-,13-,16-/m0/s1 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
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 DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355144
(CHEMBL1834554)Show SMILES Nc1ncnc2OC[C@@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.19,8.12,wD:20.23,(-9.01,-11.21,;-9,-12.75,;-10.33,-13.52,;-10.33,-15.06,;-9,-15.83,;-7.66,-15.07,;-6.32,-15.83,;-4.98,-15.05,;-4.98,-13.5,;-6.33,-12.72,;-7.67,-13.51,;-3.65,-12.74,;-2.32,-13.49,;-.99,-12.71,;-1.01,-11.17,;-2.36,-10.41,;-3.68,-11.2,;.31,-10.39,;.29,-8.85,;1.62,-8.07,;2.96,-8.82,;4.29,-8.04,;5.63,-8.8,;5.64,-10.34,;6.96,-8.02,;2.98,-10.36,;1.66,-11.14,)| Show InChI InChI=1S/C20H23N3O4/c21-19-18-20(23-11-22-19)26-10-16(27-18)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-17(24)25/h5-8,11-13,16H,1-4,9-10H2,(H,24,25)(H2,21,22,23)/t12-,13-,16-/m1/s1 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-1-mediated triglyceride synthesis in the HT-29 cells by whole cell assay |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM27947
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)| Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14- | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355145
(CHEMBL1833980)Show SMILES Nc1ncnc2OC[C@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.19,wD:20.23,8.12,(9.41,-10.55,;9.42,-12.09,;8.09,-12.86,;8.08,-14.41,;9.42,-15.18,;10.76,-14.41,;12.1,-15.18,;13.44,-14.4,;13.44,-12.85,;12.09,-12.07,;10.75,-12.86,;14.76,-12.08,;16.1,-12.84,;17.43,-12.06,;17.41,-10.51,;16.06,-9.76,;14.74,-10.55,;18.73,-9.73,;18.71,-8.2,;20.04,-7.41,;21.38,-8.17,;22.71,-7.39,;24.05,-8.15,;24.06,-9.69,;25.38,-7.36,;21.39,-9.71,;20.07,-10.49,)| Show InChI InChI=1S/C20H23N3O4/c21-19-18-20(23-11-22-19)26-10-16(27-18)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-17(24)25/h5-8,11-13,16H,1-4,9-10H2,(H,24,25)(H2,21,22,23)/t12-,13-,16-/m0/s1 | PDB
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-1-mediated triglyceride synthesis in the HT-29 cells by whole cell assay |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355146
(CHEMBL1834555)Show SMILES NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)[C@H]1COc2ncnc(N)c2O1 |r,wU:7.10,16.17,wD:4.3,(42.86,-8.87,;42.9,-7.33,;44.23,-6.55,;41.56,-6.57,;40.23,-7.35,;38.89,-6.6,;37.56,-7.38,;37.58,-8.92,;38.93,-9.67,;40.25,-8.89,;36.26,-9.7,;36.28,-11.24,;34.96,-12.02,;33.62,-11.27,;33.59,-9.73,;34.91,-8.94,;32.29,-12.03,;32.29,-13.58,;30.95,-14.36,;29.61,-13.6,;28.27,-14.36,;26.94,-13.59,;26.94,-12.05,;28.27,-11.28,;28.26,-9.74,;29.6,-12.04,;30.94,-11.25,)| Show InChI InChI=1S/C20H24N4O3/c21-17(25)9-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-10-26-20-18(27-16)19(22)23-11-24-20/h5-8,11-13,16H,1-4,9-10H2,(H2,21,25)(H2,22,23,24)/t12-,13-,16-/m1/s1 | PDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355147
(CHEMBL1834556)Show SMILES Nc1ncnc2OC[C@@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC#N)CC1 |r,wU:8.12,17.19,wD:20.23,(-8.65,-22.04,;-8.64,-23.58,;-9.97,-24.35,;-9.98,-25.9,;-8.64,-26.67,;-7.3,-25.9,;-5.96,-26.67,;-4.62,-25.88,;-4.62,-24.34,;-5.97,-23.56,;-7.31,-24.35,;-3.3,-23.57,;-1.96,-24.33,;-.63,-23.54,;-.65,-22,;-2,-21.25,;-3.32,-22.04,;.67,-21.22,;.65,-19.68,;1.98,-18.9,;3.32,-19.66,;4.65,-18.88,;4.63,-17.34,;4.61,-15.8,;3.33,-21.2,;2.01,-21.98,)| Show InChI InChI=1S/C20H22N4O2/c21-10-9-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-11-25-20-18(26-17)19(22)23-12-24-20/h5-8,12-14,17H,1-4,9,11H2,(H2,22,23,24)/t13-,14-,17-/m1/s1 | PDB
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| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-1-mediated triglyceride synthesis in the HT-29 cells by whole cell assay |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355148
(CHEMBL1834557)Show SMILES Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)[C@H]2COc3ncnc(N)c3O2)n1 |r,wU:18.19,9.12,wD:6.5,(23.76,-21.99,;22.81,-20.78,;23.24,-19.3,;21.96,-18.43,;20.75,-19.39,;19.41,-18.63,;18.08,-19.42,;16.74,-18.66,;15.41,-19.44,;15.43,-20.98,;16.78,-21.74,;18.1,-20.96,;14.11,-21.76,;14.13,-23.3,;12.8,-24.09,;11.47,-23.33,;11.44,-21.79,;12.76,-21.01,;10.14,-24.09,;10.14,-25.64,;8.8,-26.43,;7.46,-25.66,;6.12,-26.43,;4.79,-25.66,;4.79,-24.11,;6.12,-23.34,;6.11,-21.8,;7.45,-24.1,;8.79,-23.32,;21.28,-20.83,)| Show InChI InChI=1S/C22H25N5O3/c1-13-26-19(30-27-13)10-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-11-28-22-20(29-18)21(23)24-12-25-22/h6-9,12,14-15,18H,2-5,10-11H2,1H3,(H2,23,24,25)/t14-,15-,18-/m1/s1 | PDB
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| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355149
(CHEMBL1834558)Show SMILES CC1(COc2ncnc(N)c2O1)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(33.4,-24.14,;32.31,-23.06,;32.32,-24.61,;30.97,-25.39,;29.63,-24.62,;28.3,-25.39,;26.96,-24.62,;26.96,-23.08,;28.29,-22.31,;28.29,-20.77,;29.63,-23.07,;30.96,-22.28,;33.64,-22.29,;34.98,-23.05,;36.3,-22.27,;36.29,-20.73,;34.93,-19.97,;33.62,-20.76,;37.61,-19.95,;37.58,-18.41,;38.91,-17.62,;40.26,-18.38,;41.58,-17.6,;42.93,-18.36,;42.94,-19.9,;44.25,-17.58,;40.27,-19.92,;38.95,-20.7,)| Show InChI InChI=1S/C21H25N3O4/c1-21(11-27-20-18(28-21)19(22)23-12-24-20)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-17(25)26/h6-9,12-14H,2-5,10-11H2,1H3,(H,25,26)(H2,22,23,24)/t13-,14-,21? | PDB
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| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355147
(CHEMBL1834556)Show SMILES Nc1ncnc2OC[C@@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC#N)CC1 |r,wU:8.12,17.19,wD:20.23,(-8.65,-22.04,;-8.64,-23.58,;-9.97,-24.35,;-9.98,-25.9,;-8.64,-26.67,;-7.3,-25.9,;-5.96,-26.67,;-4.62,-25.88,;-4.62,-24.34,;-5.97,-23.56,;-7.31,-24.35,;-3.3,-23.57,;-1.96,-24.33,;-.63,-23.54,;-.65,-22,;-2,-21.25,;-3.32,-22.04,;.67,-21.22,;.65,-19.68,;1.98,-18.9,;3.32,-19.66,;4.65,-18.88,;4.63,-17.34,;4.61,-15.8,;3.33,-21.2,;2.01,-21.98,)| Show InChI InChI=1S/C20H22N4O2/c21-10-9-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-11-25-20-18(26-17)19(22)23-12-24-20/h5-8,12-14,17H,1-4,9,11H2,(H2,22,23,24)/t13-,14-,17-/m1/s1 | PDB
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| n/a | n/a | 249 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355143
(CHEMBL1835920)Show SMILES CC1(C)Oc2ncnc(N)c2NC1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,(32.7,-2.92,;31.16,-2.92,;31.93,-4.25,;29.82,-3.7,;28.47,-2.93,;27.14,-3.7,;25.8,-2.93,;25.8,-1.38,;27.13,-.61,;27.13,.93,;28.47,-1.38,;29.8,-.59,;31.15,-1.37,;32.48,-.6,;33.82,-1.36,;35.14,-.58,;35.13,.97,;33.78,1.72,;32.46,.93,;36.45,1.75,;36.42,3.28,;37.76,4.07,;39.1,3.31,;40.43,4.09,;41.77,3.33,;41.78,1.79,;43.09,4.12,;39.11,1.77,;37.79,.99,)| Show InChI InChI=1S/C22H28N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14,19,26H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-,19? | PDB
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| n/a | n/a | 265 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355149
(CHEMBL1834558)Show SMILES CC1(COc2ncnc(N)c2O1)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(33.4,-24.14,;32.31,-23.06,;32.32,-24.61,;30.97,-25.39,;29.63,-24.62,;28.3,-25.39,;26.96,-24.62,;26.96,-23.08,;28.29,-22.31,;28.29,-20.77,;29.63,-23.07,;30.96,-22.28,;33.64,-22.29,;34.98,-23.05,;36.3,-22.27,;36.29,-20.73,;34.93,-19.97,;33.62,-20.76,;37.61,-19.95,;37.58,-18.41,;38.91,-17.62,;40.26,-18.38,;41.58,-17.6,;42.93,-18.36,;42.94,-19.9,;44.25,-17.58,;40.27,-19.92,;38.95,-20.7,)| Show InChI InChI=1S/C21H25N3O4/c1-21(11-27-20-18(28-21)19(22)23-12-24-20)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-17(25)26/h6-9,12-14H,2-5,10-11H2,1H3,(H,25,26)(H2,22,23,24)/t13-,14-,21? | PDB
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| n/a | n/a | 735 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-1-mediated triglyceride synthesis in the HT-29 cells by whole cell assay |
Bioorg Med Chem Lett 21: 6122-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.028
BindingDB Entry DOI: 10.7270/Q2MK6D9B |
More data for this
Ligand-Target Pair | |
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