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PubMed code 26804232

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143817
PNG
(CHEMBL3758618)
Show SMILES CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C31H48N2O6/c1-21(2)20-24(38-28(37)29(3,4)5)25(34)33-31(18-12-13-19-31)27(36)32-23(26(35)39-30(6,7)8)17-16-22-14-10-9-11-15-22/h9-11,14-15,21,23-24H,12-13,16-20H2,1-8H3,(H,32,36)(H,33,34)/t23-,24-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143818
PNG
(CHEMBL3759363)
Show SMILES CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)c1nc(no1)C1CC1 |r|
Show InChI InChI=1S/C31H44N4O5/c1-20(2)19-24(39-29(38)30(3,4)5)26(36)34-31(17-9-10-18-31)28(37)32-23(16-13-21-11-7-6-8-12-21)27-33-25(35-40-27)22-14-15-22/h6-8,11-12,20,22-24H,9-10,13-19H2,1-5H3,(H,32,37)(H,34,36)/t23-,24-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143819
PNG
(CHEMBL3759790)
Show SMILES CCOC[C@H](CCc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CC1C2CC3CC(C2)CC1C3 |r,wU:4.4,TLB:34:33:31:27.28.29,THB:29:28:25:31.30.32,29:30:25:27.28.34,24:25:31:27.28.29,34:28:31:25.33.32,(4.59,-7.32,;4.65,-6.09,;6.03,-5.39,;6.11,-3.85,;7.48,-3.15,;8.77,-3.99,;8.69,-5.53,;9.98,-6.37,;9.9,-7.91,;11.19,-8.75,;12.56,-8.05,;12.64,-6.51,;11.35,-5.67,;7.56,-1.61,;6.27,-.77,;5.17,-1.33,;6.35,.77,;7.67,.04,;8.76,1.13,;8.06,2.5,;6.54,2.26,;5.06,1.61,;3.69,.91,;3.62,-.32,;2.4,1.75,;1.01,1.05,;-.28,1.69,;-1.04,.44,;-1.04,-1.32,;-2.25,-2.11,;-1.85,-.7,;-2.02,.73,;-.4,-.88,;1.11,-.36,;.37,-1.59,)|
Show InChI InChI=1S/C30H44N2O3/c1-2-35-20-26(11-10-21-8-4-3-5-9-21)31-29(34)30(12-6-7-13-30)32-28(33)19-27-24-15-22-14-23(17-24)18-25(27)16-22/h3-5,8-9,22-27H,2,6-7,10-20H2,1H3,(H,31,34)(H,32,33)/t22?,23?,24?,25?,26-,27?/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143883
PNG
(CHEMBL3759471)
Show SMILES Cc1cc(F)ccc1-n1nc(NC(=O)C(C)(C)NC(=O)C2(CC2)C(F)(F)F)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H22F5N5O2/c1-13-12-16(26)8-9-17(13)34-18(14-4-6-15(25)7-5-14)30-21(33-34)31-19(35)22(2,3)32-20(36)23(10-11-23)24(27,28)29/h4-9,12H,10-11H2,1-3H3,(H,32,36)(H,31,33,35)
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n/an/a 62n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143882
PNG
(CHEMBL3759584)
Show SMILES CC(C)(NC(=O)C1(CC1)C(F)(F)F)C(=O)Nc1nc(-c2ccc(F)cc2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20F5N5O2/c1-21(2,31-19(35)22(11-12-22)23(26,27)28)18(34)30-20-29-17(13-3-5-14(24)6-4-13)33(32-20)16-9-7-15(25)8-10-16/h3-10H,11-12H2,1-2H3,(H,31,35)(H,30,32,34)
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n/an/a 760n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143881
PNG
(CHEMBL3758551)
Show SMILES CC(C)(NC(=O)C1(CC1)C(F)(F)F)C(=O)Nc1nc(n(n1)-c1ccc(F)cc1)C(C)(C)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F5N5O2/c1-23(2,15-5-7-16(27)8-6-15)19-32-22(35-36(19)18-11-9-17(28)10-12-18)33-20(37)24(3,4)34-21(38)25(13-14-25)26(29,30)31/h5-12H,13-14H2,1-4H3,(H,34,38)(H,33,35,37)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143880
PNG
(CHEMBL3758531)
Show SMILES CC(C)(C)c1nc(NC(=O)C(C)(C)NC(=O)c2ccc(F)cc2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2N5O2/c1-22(2,3)19-26-21(29-30(19)17-12-10-16(25)11-13-17)27-20(32)23(4,5)28-18(31)14-6-8-15(24)9-7-14/h6-13H,1-5H3,(H,28,31)(H,27,29,32)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143829
PNG
(CHEMBL3759017)
Show SMILES CC(C)(C)c1nc(NC(=O)C(C)(C)NC(=O)C2(CC2)C(F)(F)F)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C21H25F4N5O2/c1-18(2,3)14-26-17(29-30(14)13-8-6-12(22)7-9-13)27-15(31)19(4,5)28-16(32)20(10-11-20)21(23,24)25/h6-9H,10-11H2,1-5H3,(H,28,32)(H,27,29,31)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143820
PNG
(CHEMBL3759264)
Show SMILES CCOC[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(NC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C)c1 |r|
Show InChI InChI=1S/C29H42N2O6S/c1-7-36-20-24(17-16-22-12-9-8-10-13-22)31-38(34,35)25-15-11-14-23(19-25)30-27(32)26(18-21(2)3)37-28(33)29(4,5)6/h8-15,19,21,24,26,31H,7,16-18,20H2,1-6H3,(H,30,32)/t24-,26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143822
PNG
(CHEMBL3759291)
Show SMILES CC(C)(C)c1nc(NC(=O)C(C)(C)NC(=O)C2(C)CC2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C21H28FN5O2/c1-19(2,3)15-23-18(26-27(15)14-9-7-13(22)8-10-14)24-16(28)20(4,5)25-17(29)21(6)11-12-21/h7-10H,11-12H2,1-6H3,(H,25,29)(H,24,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%