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PubMed code 26627579

Compile data set for download or QSAR
Found 37 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))
BDBM50499970
PNG
(CHEMBL3741505)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Nc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H22N4O4S/c27-19(24-22-26-25-21(31-22)23-16-4-2-1-3-5-16)14-6-10-17(11-7-14)30-18-12-8-15(9-13-18)20(28)29/h1-7,10-11,15,18H,8-9,12-13H2,(H,23,25)(H,28,29)(H,24,26,27)/t15-,18+
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n/an/a 3n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499970
PNG
(CHEMBL3741505)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Nc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H22N4O4S/c27-19(24-22-26-25-21(31-22)23-16-4-2-1-3-5-16)14-6-10-17(11-7-14)30-18-12-8-15(9-13-18)20(28)29/h1-7,10-11,15,18H,8-9,12-13H2,(H,23,25)(H,28,29)(H,24,26,27)/t15-,18+
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n/an/a 4n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499966
PNG
(CHEMBL3739742)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(NC2CCCC2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.07,-2.49,;10.22,-.95,;8.81,-.33,;7.79,-1.48,;5.38,-3.22,)|
Show InChI InChI=1S/C21H26N4O4S/c26-18(23-21-25-24-20(30-21)22-15-3-1-2-4-15)13-5-9-16(10-6-13)29-17-11-7-14(8-12-17)19(27)28/h5-6,9-10,14-15,17H,1-4,7-8,11-12H2,(H,22,24)(H,27,28)(H,23,25,26)/t14-,17+
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n/an/a 9n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499969
PNG
(CHEMBL3741095)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;11.95,-1.08,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C23H21F2N3O4S/c24-16-9-13(10-17(25)12-16)11-20-27-28-23(33-20)26-21(29)14-1-5-18(6-2-14)32-19-7-3-15(4-8-19)22(30)31/h1-2,5-6,9-10,12,15,19H,3-4,7-8,11H2,(H,30,31)(H,26,28,29)/t15-,19+
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n/an/a 11n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499984
PNG
(CHEMBL3741333)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(COC2CCCC2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.85,-1.3,;12.36,-1.62,;12.52,-3.15,;11.11,-3.77,;5.38,-3.22,)|
Show InChI InChI=1S/C22H27N3O5S/c26-20(23-22-25-24-19(31-22)13-29-16-3-1-2-4-16)14-5-9-17(10-6-14)30-18-11-7-15(8-12-18)21(27)28/h5-6,9-10,15-16,18H,1-4,7-8,11-13H2,(H,27,28)(H,23,25,26)/t15-,18+
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n/an/a 12n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499969
PNG
(CHEMBL3741095)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;11.95,-1.08,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C23H21F2N3O4S/c24-16-9-13(10-17(25)12-16)11-20-27-28-23(33-20)26-21(29)14-1-5-18(6-2-14)32-19-7-3-15(4-8-19)22(30)31/h1-2,5-6,9-10,12,15,19H,3-4,7-8,11H2,(H,30,31)(H,26,28,29)/t15-,19+
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n/an/a 13n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499978
PNG
(CHEMBL3741569)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C23H23N3O4S/c27-21(24-23-26-25-20(31-23)14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)22(28)29/h1-7,10-11,17,19H,8-9,12-14H2,(H,28,29)(H,24,26,27)/t17-,19+
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n/an/a 16n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499984
PNG
(CHEMBL3741333)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(COC2CCCC2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.85,-1.3,;12.36,-1.62,;12.52,-3.15,;11.11,-3.77,;5.38,-3.22,)|
Show InChI InChI=1S/C22H27N3O5S/c26-20(23-22-25-24-19(31-22)13-29-16-3-1-2-4-16)14-5-9-17(10-6-14)30-18-11-7-15(8-12-18)21(27)28/h5-6,9-10,15-16,18H,1-4,7-8,11-13H2,(H,27,28)(H,23,25,26)/t15-,18+
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n/an/a 17n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499966
PNG
(CHEMBL3739742)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(NC2CCCC2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.07,-2.49,;10.22,-.95,;8.81,-.33,;7.79,-1.48,;5.38,-3.22,)|
Show InChI InChI=1S/C21H26N4O4S/c26-18(23-21-25-24-20(30-21)22-15-3-1-2-4-15)13-5-9-16(10-6-13)29-17-11-7-14(8-12-17)19(27)28/h5-6,9-10,14-15,17H,1-4,7-8,11-12H2,(H,22,24)(H,27,28)(H,23,25,26)/t14-,17+
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n/an/a 22n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499978
PNG
(CHEMBL3741569)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C23H23N3O4S/c27-21(24-23-26-25-20(31-23)14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)22(28)29/h1-7,10-11,17,19H,8-9,12-14H2,(H,28,29)(H,24,26,27)/t17-,19+
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n/an/a 28n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50380045
PNG
(CHEMBL2012625)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:4.3,wD:7.10,(15.69,-16.29,;14.15,-16.31,;13.4,-17.65,;13.37,-14.98,;11.83,-15,;11.06,-16.35,;9.53,-16.36,;8.75,-15.04,;9.49,-13.7,;11.03,-13.68,;7.21,-15.06,;6.42,-13.75,;4.89,-13.77,;4.14,-15.1,;4.91,-16.42,;6.46,-16.4,;2.6,-15.12,;1.81,-13.79,;1.84,-16.46,;.3,-16.47,;-.62,-15.25,;-2.08,-15.73,;-2.06,-17.28,;-3.41,-18.03,;-4.73,-17.25,;-4.71,-15.71,;-6.04,-14.92,;-7.38,-15.68,;-7.39,-17.23,;-6.07,-18,;-.59,-17.73,)|
Show InChI InChI=1S/C24H25N3O3S/c28-22(29)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18-
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n/an/a 29n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50380045
PNG
(CHEMBL2012625)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:4.3,wD:7.10,(15.69,-16.29,;14.15,-16.31,;13.4,-17.65,;13.37,-14.98,;11.83,-15,;11.06,-16.35,;9.53,-16.36,;8.75,-15.04,;9.49,-13.7,;11.03,-13.68,;7.21,-15.06,;6.42,-13.75,;4.89,-13.77,;4.14,-15.1,;4.91,-16.42,;6.46,-16.4,;2.6,-15.12,;1.81,-13.79,;1.84,-16.46,;.3,-16.47,;-.62,-15.25,;-2.08,-15.73,;-2.06,-17.28,;-3.41,-18.03,;-4.73,-17.25,;-4.71,-15.71,;-6.04,-14.92,;-7.38,-15.68,;-7.39,-17.23,;-6.07,-18,;-.59,-17.73,)|
Show InChI InChI=1S/C24H25N3O3S/c28-22(29)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18-
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n/an/a 36n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499976
PNG
(CHEMBL3740753)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COC2CCCC2)s1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.85,-1.3,;12.36,-1.62,;12.52,-3.15,;11.11,-3.77,;5.38,-3.22,)|
Show InChI InChI=1S/C23H29N3O4S/c27-21(28)13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(29)24-23-26-25-20(31-23)14-30-19-3-1-2-4-19/h9-12,15-16,19H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t15-,16-
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n/an/a 38n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499982
PNG
(CHEMBL3741723)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H22N4O4S/c27-20(24-22-26-25-19(31-22)12-14-4-2-1-3-5-14)16-8-11-18(23-13-16)30-17-9-6-15(7-10-17)21(28)29/h1-5,8,11,13,15,17H,6-7,9-10,12H2,(H,28,29)(H,24,26,27)/t15-,17+
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n/an/a 45n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499974
PNG
(CHEMBL3742009)
Show SMILES NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C24H26N4O2S/c25-21(29)14-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)26-24-28-27-22(31-24)15-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H2,25,29)(H,26,28,30)/t17-,18-
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n/an/a 48n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499965
PNG
(CHEMBL3741943)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H21ClN4O4S/c23-16-3-1-2-13(10-16)11-19-26-27-22(32-19)25-20(28)15-6-9-18(24-12-15)31-17-7-4-14(5-8-17)21(29)30/h1-3,6,9-10,12,14,17H,4-5,7-8,11H2,(H,29,30)(H,25,27,28)/t14-,17+
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n/an/a 55n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499973
PNG
(CHEMBL3740607)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nc(Cc2ccccc2)no1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;5.38,-3.22,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.64,-5.7,;4.14,-5.38,)|
Show InChI InChI=1S/C23H23N3O5/c27-21(25-23-24-20(26-31-23)14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)22(28)29/h1-7,10-11,17,19H,8-9,12-14H2,(H,28,29)(H,24,25,26,27)/t17-,19+
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n/an/a 57n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499976
PNG
(CHEMBL3740753)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COC2CCCC2)s1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.85,-1.3,;12.36,-1.62,;12.52,-3.15,;11.11,-3.77,;5.38,-3.22,)|
Show InChI InChI=1S/C23H29N3O4S/c27-21(28)13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(29)24-23-26-25-20(31-23)14-30-19-3-1-2-4-19/h9-12,15-16,19H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t15-,16-
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n/an/a 66n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499964
PNG
(CHEMBL3741896)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1 |r,wU:6.9,wD:3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;11.95,-1.08,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C23H21F2N3O4S/c24-16-9-13(10-17(25)12-16)11-20-27-28-23(33-20)26-21(29)14-1-5-18(6-2-14)32-19-7-3-15(4-8-19)22(30)31/h1-2,5-6,9-10,12,15,19H,3-4,7-8,11H2,(H,30,31)(H,26,28,29)/t15-,19-
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n/an/a 76n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499985
PNG
(CHEMBL3741306)
Show SMILES OCC(O)CNC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:12.15,wD:9.8,(-10.41,10.63,;-9.34,10.01,;-9.34,8.47,;-10.41,7.86,;-8.01,7.7,;-8.01,6.16,;-6.67,5.39,;-5.61,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C27H32N4O4S/c32-17-23(33)16-28-24(34)14-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(35)29-27-31-30-25(36-27)15-18-4-2-1-3-5-18/h1-5,10-13,19-20,23,32-33H,6-9,14-17H2,(H,28,34)(H,29,31,35)/t19-,20-,23?
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n/an/a 81n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499965
PNG
(CHEMBL3741943)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H21ClN4O4S/c23-16-3-1-2-13(10-16)11-19-26-27-22(32-19)25-20(28)15-6-9-18(24-12-15)31-17-7-4-14(5-8-17)21(29)30/h1-3,6,9-10,12,14,17H,4-5,7-8,11H2,(H,29,30)(H,25,27,28)/t14-,17+
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n/an/a 85n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499977
PNG
(CHEMBL3740571)
Show SMILES COCCNC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:11.14,wD:8.7,(-10.41,10.63,;-9.34,10.01,;-9.34,8.47,;-8.01,7.7,;-8.01,6.16,;-6.67,5.39,;-5.61,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C27H32N4O3S/c1-34-16-15-28-24(32)17-20-7-9-21(10-8-20)22-11-13-23(14-12-22)26(33)29-27-31-30-25(35-27)18-19-5-3-2-4-6-19/h2-6,11-14,20-21H,7-10,15-18H2,1H3,(H,28,32)(H,29,31,33)/t20-,21-
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n/an/a 88n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499975
PNG
(CHEMBL3742053)
Show SMILES CC(C)(O)CNC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:12.15,wD:9.8,(-10.41,9.09,;-9.34,8.47,;-10.41,7.86,;-9.34,9.7,;-8.01,7.7,;-8.01,6.16,;-6.67,5.39,;-5.61,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C28H34N4O3S/c1-28(2,35)18-29-24(33)16-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26(34)30-27-32-31-25(36-27)17-19-6-4-3-5-7-19/h3-7,12-15,20-21,35H,8-11,16-18H2,1-2H3,(H,29,33)(H,30,32,34)/t20-,21-
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n/an/a 92n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499979
PNG
(CHEMBL3741016)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nc(Cc2cc(F)cc(F)c2)no1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;5.38,-3.22,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;11.95,-1.08,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.64,-5.7,;4.14,-5.38,)|
Show InChI InChI=1S/C23H21F2N3O5/c24-16-9-13(10-17(25)12-16)11-20-26-23(33-28-20)27-21(29)14-1-5-18(6-2-14)32-19-7-3-15(4-8-19)22(30)31/h1-2,5-6,9-10,12,15,19H,3-4,7-8,11H2,(H,30,31)(H,26,27,28,29)/t15-,19+
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n/an/a 120n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499981
PNG
(CHEMBL3742222)
Show SMILES O=C(C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1)NCCN1CCOCC1 |r,wU:6.9,wD:3.2,(-5.61,6,;-6.67,5.39,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,;-8.01,6.16,;-8.01,7.7,;-9.34,8.47,;-9.34,10.01,;-10.67,10.78,;-10.67,12.32,;-9.34,13.09,;-8,12.32,;-8.01,10.78,)|
Show InChI InChI=1S/C30H37N5O3S/c36-27(31-14-15-35-16-18-38-19-17-35)20-23-6-8-24(9-7-23)25-10-12-26(13-11-25)29(37)32-30-34-33-28(39-30)21-22-4-2-1-3-5-22/h1-5,10-13,23-24H,6-9,14-21H2,(H,31,36)(H,32,34,37)/t23-,24-
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n/an/a 122n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50380029
PNG
(CHEMBL2012627)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.87,1.11,;43.33,1.09,;42.57,-.25,;42.54,2.42,;41,2.4,;40.21,3.72,;38.67,3.7,;37.92,2.35,;38.71,1.03,;40.24,1.05,;36.39,2.34,;35.61,3.65,;34.07,3.63,;33.32,2.3,;34.1,.98,;35.64,1,;31.78,2.28,;31,3.61,;31.02,.94,;29.48,.92,;28.56,2.16,;27.1,1.67,;27.12,.13,;25.78,-.63,;24.45,.15,;24.47,1.7,;23.15,2.48,;21.81,1.72,;20.48,2.51,;21.8,.18,;23.12,-.6,;28.59,-.33,)|
Show InChI InChI=1S/C24H24FN3O3S/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17-
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n/an/a 130n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499982
PNG
(CHEMBL3741723)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H22N4O4S/c27-20(24-22-26-25-19(31-22)12-14-4-2-1-3-5-14)16-8-11-18(23-13-16)30-17-9-6-15(7-10-17)21(28)29/h1-5,8,11,13,15,17H,6-7,9-10,12H2,(H,28,29)(H,24,26,27)/t15-,17+
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n/an/a 135n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499967
PNG
(CHEMBL3741427)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCO2)s1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;11.11,-3.77,;12.52,-3.15,;12.36,-1.62,;10.85,-1.3,;5.38,-3.22,)|
Show InChI InChI=1S/C23H29N3O4S/c27-21(28)14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)22(29)24-23-26-25-20(31-23)12-11-19-2-1-13-30-19/h7-10,15-16,19H,1-6,11-14H2,(H,27,28)(H,24,26,29)/t15-,16-,19?
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n/an/a 144n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499964
PNG
(CHEMBL3741896)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1 |r,wU:6.9,wD:3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;11.95,-1.08,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C23H21F2N3O4S/c24-16-9-13(10-17(25)12-16)11-20-27-28-23(33-20)26-21(29)14-1-5-18(6-2-14)32-19-7-3-15(4-8-19)22(30)31/h1-2,5-6,9-10,12,15,19H,3-4,7-8,11H2,(H,30,31)(H,26,28,29)/t15-,19-
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n/an/a 160n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499968
PNG
(CHEMBL3741457)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCOC2)s1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;11.11,-3.77,;12.52,-3.15,;12.36,-1.62,;10.85,-1.3,;5.38,-3.22,)|
Show InChI InChI=1S/C23H29N3O4S/c27-21(28)13-15-1-4-17(5-2-15)18-6-8-19(9-7-18)22(29)24-23-26-25-20(31-23)10-3-16-11-12-30-14-16/h6-9,15-17H,1-5,10-14H2,(H,27,28)(H,24,26,29)/t15-,16?,17-
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n/an/a 233n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499980
PNG
(CHEMBL3740823)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nc(Cc2ccccc2)no1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;5.38,-3.22,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.65,-5.7,;4.14,-5.38,)|
Show InChI InChI=1S/C24H25N3O4/c28-22(29)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)26-24-25-21(27-31-24)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,28,29)(H,25,26,27,30)/t17-,18-
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n/an/a 253n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499986
PNG
(CHEMBL3741542)
Show SMILES CN(C)CCNC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:12.15,wD:9.8,(-10.41,10.63,;-9.34,10.01,;-8.27,10.63,;-9.34,8.47,;-8.01,7.7,;-8.01,6.16,;-6.67,5.39,;-5.61,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C28H35N5O2S/c1-33(2)17-16-29-25(34)18-21-8-10-22(11-9-21)23-12-14-24(15-13-23)27(35)30-28-32-31-26(36-28)19-20-6-4-3-5-7-20/h3-7,12-15,21-22H,8-11,16-19H2,1-2H3,(H,29,34)(H,30,32,35)/t21-,22-
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n/an/a 279n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499983
PNG
(CHEMBL3740040)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 |r,wU:6.9,wD:3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C23H23N3O4S/c27-21(24-23-26-25-20(31-23)14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)22(28)29/h1-7,10-11,17,19H,8-9,12-14H2,(H,28,29)(H,24,26,27)/t17-,19-
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n/an/a 280n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499972
PNG
(CHEMBL3741082)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1noc(Cc2ccccc2)n1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C24H25N3O4/c28-22(29)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)26-24-25-21(31-27-24)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,28,29)(H,26,27,30)/t17-,18-
PDB

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n/an/a 286n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499979
PNG
(CHEMBL3741016)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nc(Cc2cc(F)cc(F)c2)no1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;5.38,-3.22,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;11.95,-1.08,;9.81,.03,;8.28,-.14,;7.55,.85,;7.66,-1.55,;5.64,-5.7,;4.14,-5.38,)|
Show InChI InChI=1S/C23H21F2N3O5/c24-16-9-13(10-17(25)12-16)11-20-26-23(33-28-20)27-21(29)14-1-5-18(6-2-14)32-19-7-3-15(4-8-19)22(30)31/h1-2,5-6,9-10,12,15,19H,3-4,7-8,11H2,(H,30,31)(H,26,27,28,29)/t15-,19+
PDB

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n/an/a 310n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50380029
PNG
(CHEMBL2012627)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.87,1.11,;43.33,1.09,;42.57,-.25,;42.54,2.42,;41,2.4,;40.21,3.72,;38.67,3.7,;37.92,2.35,;38.71,1.03,;40.24,1.05,;36.39,2.34,;35.61,3.65,;34.07,3.63,;33.32,2.3,;34.1,.98,;35.64,1,;31.78,2.28,;31,3.61,;31.02,.94,;29.48,.92,;28.56,2.16,;27.1,1.67,;27.12,.13,;25.78,-.63,;24.45,.15,;24.47,1.7,;23.15,2.48,;21.81,1.72,;20.48,2.51,;21.8,.18,;23.12,-.6,;28.59,-.33,)|
Show InChI InChI=1S/C24H24FN3O3S/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17-
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Article
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n/an/a 600n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499971
PNG
(CHEMBL3741500)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)o1 |r,wU:7.10,wD:4.3,(-5.61,6,;-6.67,5.39,;-7.74,6,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;10.31,1.15,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C24H24FN3O4/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17-
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n/an/a 1.39E+3n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%