Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50034536 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)) | 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr... |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50363956
(CHEMBL1952025)Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(26.2,1.37,;26.2,-.17,;24.87,-.94,;24.87,-2.48,;26.21,-3.25,;27.53,-2.49,;28.87,-3.26,;30.21,-2.49,;30.22,-.94,;28.87,-.15,;28.87,1.38,;27.54,-.93,;31.55,-.18,;32.88,-.95,;34.21,-.19,;34.22,1.35,;32.88,2.13,;31.55,1.36,;35.56,2.12,;35.56,3.65,;36.9,4.42,;38.23,3.64,;39.57,4.4,;40.89,3.63,;40.89,2.09,;42.23,4.39,;38.22,2.1,;36.89,1.34,)| Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr... |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Rattus norvegicus (rat)) | 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- | KEGG
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat DGAT-1 |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50363956
(CHEMBL1952025)Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(26.2,1.37,;26.2,-.17,;24.87,-.94,;24.87,-2.48,;26.21,-3.25,;27.53,-2.49,;28.87,-3.26,;30.21,-2.49,;30.22,-.94,;28.87,-.15,;28.87,1.38,;27.54,-.93,;31.55,-.18,;32.88,-.95,;34.21,-.19,;34.22,1.35,;32.88,2.13,;31.55,1.36,;35.56,2.12,;35.56,3.65,;36.9,4.42,;38.23,3.64,;39.57,4.4,;40.89,3.63,;40.89,2.09,;42.23,4.39,;38.22,2.1,;36.89,1.34,)| Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
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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TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr... |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Diacylglycerol O-acyltransferase 2
(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- | Reactome pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-2 |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50363956
(CHEMBL1952025)Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(26.2,1.37,;26.2,-.17,;24.87,-.94,;24.87,-2.48,;26.21,-3.25,;27.53,-2.49,;28.87,-3.26,;30.21,-2.49,;30.22,-.94,;28.87,-.15,;28.87,1.38,;27.54,-.93,;31.55,-.18,;32.88,-.95,;34.21,-.19,;34.22,1.35,;32.88,2.13,;31.55,1.36,;35.56,2.12,;35.56,3.65,;36.9,4.42,;38.23,3.64,;39.57,4.4,;40.89,3.63,;40.89,2.09,;42.23,4.39,;38.22,2.1,;36.89,1.34,)| Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14- | Reactome pathway
KEGG
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-2 |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(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- | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-2 |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this
Ligand-Target Pair | |
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