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Compile Data Set for Download or QSAR

Found 639 hits with Last Name = 'viviani' and Initial = 'f'   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178284
PNG
(US9120812, 69)
Show SMILES CN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)cc3)c2C1=O)N1CC2CCC(C1)O2 |TLB:9:31:34.35:38|
Show InChI InChI=1S/C28H31N7O4/c1-28(2)16-34(3)25(36)22-23(32-26(33-24(22)39-28)35-14-20-8-9-21(15-35)38-20)17-4-6-18(7-5-17)30-27(37)31-19-10-12-29-13-11-19/h4-7,10-13,20-21H,8-9,14-16H2,1-3H3,(H2,29,30,31,37)
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n/an/a 6n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135582
PNG
(US8846654, 111)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(F)F)cc3c2=O)cc1OC
Show InChI InChI=1S/C24H25F2N3O6/c1-33-20-6-3-15(11-21(20)34-2)13-28-22(31)18-12-17(35-23(25)26)4-5-19(18)29(24(28)32)16-7-9-27(14-30)10-8-16/h3-6,11-12,14,16,23H,7-10,13H2,1-2H3
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n/an/a 6.70n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
The assay is carried out in 1.5 ml Eppendorf tubes comprising 40 mM of Tris-HCl (pH 7.5), 15 mM of MgCl2, 1 mM of EGTA, 0.5 mg/ml of bovine serum alb...


US Patent US8846654 (2014)


BindingDB Entry DOI: 10.7270/Q21V5CPZ
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178350
PNG
(US9120812, 135)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccon4)c(F)c3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:32:35.36:39|
Show InChI InChI=1S/C27H30FN7O5/c1-4-34-14-27(2,3)40-23-21(24(34)36)22(31-25(32-23)35-12-16-6-7-17(13-35)39-16)15-5-8-19(18(28)11-15)29-26(37)30-20-9-10-38-33-20/h5,8-11,16-17H,4,6-7,12-14H2,1-3H3,(H2,29,30,33,37)
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n/an/a 11n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178395
PNG
(US9120812, 180)
Show SMILES COCCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccon4)cc3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C27H33N7O6/c1-17-15-38-14-11-34(17)25-30-22(18-5-7-19(8-6-18)28-26(36)29-20-9-12-39-32-20)21-23(31-25)40-27(2,3)16-33(24(21)35)10-13-37-4/h5-9,12,17H,10-11,13-16H2,1-4H3,(H2,28,29,32,36)/t17-/m0/s1
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n/an/a 11n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50380043
PNG
(CHEMBL2012612)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCC2)s1 |r,wU:7.10,wD:4.3,(43.94,-23.77,;42.4,-23.79,;41.65,-25.13,;41.61,-22.47,;40.07,-22.48,;39.28,-21.16,;37.74,-21.18,;36.99,-22.53,;37.78,-23.85,;39.31,-23.83,;35.46,-22.54,;34.68,-21.23,;33.14,-21.25,;32.39,-22.58,;33.17,-23.9,;34.71,-23.89,;30.85,-22.6,;30.07,-21.27,;30.1,-23.94,;28.56,-23.96,;27.64,-22.72,;26.18,-23.21,;26.19,-24.76,;24.85,-25.51,;23.53,-24.73,;22.3,-25.65,;20.82,-25.21,;19.94,-26.47,;20.87,-27.7,;22.32,-27.2,;27.66,-25.22,)|
Show InChI InChI=1S/C24H31N3O3S/c28-22(29)15-17-5-8-18(9-6-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-7-16-3-1-2-4-16/h10-13,16-18H,1-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,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 human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by...


Bioorg Med Chem Lett 22: 2497-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178283
PNG
(US9120812, 68)
Show SMILES CN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)cc3)c2C1=O)N1C2CCC1COC2
Show InChI InChI=1S/C28H31N7O4/c1-28(2)16-34(3)25(36)22-23(32-26(33-24(22)39-28)35-20-8-9-21(35)15-38-14-20)17-4-6-18(7-5-17)30-27(37)31-19-10-12-29-13-11-19/h4-7,10-13,20-21H,8-9,14-16H2,1-3H3,(H2,29,30,31,37)
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n/an/a 12n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178388
PNG
(US9120812, 173)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccc(OC)cn4)cc3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C29H35N7O5/c1-6-35-17-29(3,4)41-25-23(26(35)37)24(33-27(34-25)36-13-14-40-16-18(36)2)19-7-9-20(10-8-19)31-28(38)32-22-12-11-21(39-5)15-30-22/h7-12,15,18H,6,13-14,16-17H2,1-5H3,(H2,30,31,32,38)/t18-/m0/s1
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n/an/a 12n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178230
PNG
(US9120812, 15)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2nc(nc3OC(C)(C)CN(C4CCOCC4)C(=O)c23)N2CC3CCC(C2)O3)no1 |THB:16:34:41:37.38|
Show InChI InChI=1S/C31H37N7O6/c1-18-14-24(36-44-18)33-30(40)32-20-6-4-19(5-7-20)26-25-27(35-29(34-26)37-15-22-8-9-23(16-37)42-22)43-31(2,3)17-38(28(25)39)21-10-12-41-13-11-21/h4-7,14,21-23H,8-13,15-17H2,1-3H3,(H2,32,33,36,40)
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n/an/a 12n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178399
PNG
(US9120812, 184)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4cc(OC)ccn4)cc3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C29H35N7O5/c1-6-35-17-29(3,4)41-25-23(26(35)37)24(33-27(34-25)36-13-14-40-16-18(36)2)19-7-9-20(10-8-19)31-28(38)32-22-15-21(39-5)11-12-30-22/h7-12,15,18H,6,13-14,16-17H2,1-5H3,(H2,30,31,32,38)/t18-/m0/s1
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n/an/a 12n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178226
PNG
(US9120812, 11)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)NC)cc3F)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C24H31FN6O4/c1-6-30-13-24(3,4)35-20-18(21(30)32)19(28-22(29-20)31-9-10-34-12-14(31)2)16-8-7-15(11-17(16)25)27-23(33)26-5/h7-8,11,14H,6,9-10,12-13H2,1-5H3,(H2,26,27,33)/t14-/m0/s1
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n/an/a 13n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178341
PNG
(US9120812, 126)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4cnn(C)c4)cc3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:32:35.36:39|
Show InChI InChI=1S/C28H34N8O4/c1-5-35-16-28(2,3)40-24-22(25(35)37)23(32-26(33-24)36-14-20-10-11-21(15-36)39-20)17-6-8-18(9-7-17)30-27(38)31-19-12-29-34(4)13-19/h6-9,12-13,20-21H,5,10-11,14-16H2,1-4H3,(H2,30,31,38)
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n/an/a 13n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178436
PNG
(US9120812, 221)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C28H33N7O4/c1-5-34-17-28(3,4)39-24-22(25(34)36)23(32-26(33-24)35-14-15-38-16-18(35)2)19-9-11-20(12-10-19)30-27(37)31-21-8-6-7-13-29-21/h6-13,18H,5,14-17H2,1-4H3,(H2,29,30,31,37)/t18-/m0/s1
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n/an/a 13n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135578
PNG
(US8846654, 16)
Show SMILES COc1ccc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OCC(F)F)cc3c2=O)cc1OC
Show InChI InChI=1S/C25H27F2N3O6/c1-34-21-6-3-16(11-22(21)35-2)13-29-24(32)19-12-18(36-14-23(26)27)4-5-20(19)30(25(29)33)17-7-9-28(15-31)10-8-17/h3-6,11-12,15,17,23H,7-10,13-14H2,1-2H3
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n/an/a 15n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
The assay is carried out in 1.5 ml Eppendorf tubes comprising 40 mM of Tris-HCl (pH 7.5), 15 mM of MgCl2, 1 mM of EGTA, 0.5 mg/ml of bovine serum alb...


US Patent US8846654 (2014)


BindingDB Entry DOI: 10.7270/Q21V5CPZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178282
PNG
(US9120812, 67)
Show SMILES CN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c2C1=O)N1C2CCC1COC2
Show InChI InChI=1S/C29H32FN7O4/c1-16-5-7-18(12-31-16)32-28(39)33-22-10-6-17(11-21(22)30)24-23-25(41-29(2,3)15-36(4)26(23)38)35-27(34-24)37-19-8-9-20(37)14-40-13-19/h5-7,10-12,19-20H,8-9,13-15H2,1-4H3,(H2,32,33,39)
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n/an/a 15n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178236
PNG
(US9120812, 21)
Show SMILES COc1ccnc(NC(=O)Nc2ccc(cc2)-c2nc(nc3OC(C)(C)CN(C)C(=O)c23)N2CC3CCC(C2)O3)c1 |TLB:19:32:35.36:39|
Show InChI InChI=1S/C29H33N7O5/c1-29(2)16-35(3)26(37)23-24(33-27(34-25(23)41-29)36-14-20-9-10-21(15-36)40-20)17-5-7-18(8-6-17)31-28(38)32-22-13-19(39-4)11-12-30-22/h5-8,11-13,20-21H,9-10,14-16H2,1-4H3,(H2,30,31,32,38)
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n/an/a 15n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM135584
PNG
(US8846654, 294)
Show SMILES FCC(CF)Oc1ccc2n(C3CCN(CC3)C=O)c(=O)n(Cc3ccc(-c4ccccc4)c(c3)C#N)c(=O)c2c1
Show InChI InChI=1S/C31H28F2N4O4/c32-16-26(17-33)41-25-7-9-29-28(15-25)30(39)36(31(40)37(29)24-10-12-35(20-38)13-11-24)19-21-6-8-27(23(14-21)18-34)22-4-2-1-3-5-22/h1-9,14-15,20,24,26H,10-13,16-17,19H2
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n/an/a 15n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
By using for PDE8 an enzymatic assay equivalent to that described for PDE7. PDE7 Enzymatic Assay: The assay is carried out in 1.5 ml Eppendorf tube...


US Patent US8846654 (2014)


BindingDB Entry DOI: 10.7270/Q21V5CPZ
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178446
PNG
(US9120812, 231)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)c(F)c3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C28H32FN7O4/c1-5-35-16-28(3,4)40-24-22(25(35)37)23(33-26(34-24)36-12-13-39-15-17(36)2)18-6-7-21(20(29)14-18)32-27(38)31-19-8-10-30-11-9-19/h6-11,14,17H,5,12-13,15-16H2,1-4H3,(H2,30,31,32,38)/t17-/m0/s1
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n/an/a 16n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178281
PNG
(US9120812, 66)
Show SMILES CN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c2C1=O)N1CC2CCC(C1)O2 |THB:9:33:40:36.37|
Show InChI InChI=1S/C29H32FN7O4/c1-16-5-7-18(12-31-16)32-28(39)33-22-10-6-17(11-21(22)30)24-23-25(41-29(2,3)15-36(4)26(23)38)35-27(34-24)37-13-19-8-9-20(14-37)40-19/h5-7,10-12,19-20H,8-9,13-15H2,1-4H3,(H2,32,33,39)
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n/an/a 16n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178342
PNG
(US9120812, 127)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4cccc(OC)c4)cc3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:34:37.38:41|
Show InChI InChI=1S/C31H36N6O5/c1-5-36-18-31(2,3)42-27-25(28(36)38)26(34-29(35-27)37-16-23-13-14-24(17-37)41-23)19-9-11-20(12-10-19)32-30(39)33-21-7-6-8-22(15-21)40-4/h6-12,15,23-24H,5,13-14,16-18H2,1-4H3,(H2,32,33,39)
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n/an/a 16n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178340
PNG
(US9120812, 125)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4cnccn4)cc3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:32:35.36:39|
Show InChI InChI=1S/C28H32N8O4/c1-4-35-16-28(2,3)40-24-22(25(35)37)23(33-26(34-24)36-14-19-9-10-20(15-36)39-19)17-5-7-18(8-6-17)31-27(38)32-21-13-29-11-12-30-21/h5-8,11-13,19-20H,4,9-10,14-16H2,1-3H3,(H2,30,31,32,38)
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n/an/a 16n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178227
PNG
(US9120812, 12)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)cc3F)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C28H32FN7O4/c1-5-35-16-28(3,4)40-24-22(25(35)37)23(33-26(34-24)36-12-13-39-15-17(36)2)20-7-6-19(14-21(20)29)32-27(38)31-18-8-10-30-11-9-18/h6-11,14,17H,5,12-13,15-16H2,1-4H3,(H2,30,31,32,38)/t17-/m0/s1
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n/an/a 17n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178222
PNG
(US9120812, 7)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(nc2OC(C)(C)CN(CCC(O)=O)C(=O)c12)N1CC2CCC(C1)O2 |THB:14:31:38:34.35|
Show InChI InChI=1S/C27H34N6O6/c1-4-28-26(37)29-17-7-5-16(6-8-17)22-21-23(31-25(30-22)33-13-18-9-10-19(14-33)38-18)39-27(2,3)15-32(24(21)36)12-11-20(34)35/h5-8,18-19H,4,9-15H2,1-3H3,(H,34,35)(H2,28,29,37)
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n/an/a 17n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178422
PNG
(US9120812, 207)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)NC)c(F)c3)c2C1=O)N1C2CCC1COC2 |TLB:10:28:34.35.33:30.31|
Show InChI InChI=1S/C25H31FN6O4/c1-5-31-13-25(2,3)36-21-19(22(31)33)20(14-6-9-18(17(26)10-14)28-24(34)27-4)29-23(30-21)32-15-7-8-16(32)12-35-11-15/h6,9-10,15-16H,5,7-8,11-13H2,1-4H3,(H2,27,28,34)
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n/an/a 18n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178374
PNG
(US9120812, 159)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccon4)c(F)c3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C26H30FN7O5/c1-5-33-14-26(3,4)39-22-20(23(33)35)21(30-24(31-22)34-9-11-37-13-15(34)2)16-6-7-18(17(27)12-16)28-25(36)29-19-8-10-38-32-19/h6-8,10,12,15H,5,9,11,13-14H2,1-4H3,(H2,28,29,32,36)/t15-/m0/s1
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n/an/a 18n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178267
PNG
(US9120812, 52)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)c(F)c3)c2C1=O)N1CC2CC11CC1O2
Show InChI InChI=1S/C29H30FN7O4/c1-4-36-15-28(2,3)41-24-22(25(36)38)23(34-26(35-24)37-14-18-12-29(37)13-21(29)40-18)16-5-6-20(19(30)11-16)33-27(39)32-17-7-9-31-10-8-17/h5-11,18,21H,4,12-15H2,1-3H3,(H2,31,32,33,39)
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n/an/a 18n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178218
PNG
(US9120812, 3)
Show SMILES CCNC(=O)Nc1ccc(cc1F)-c1nc(nc2OC(C)(C)CN(CC)C(=O)c12)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C25H33FN6O4/c1-6-27-24(34)28-18-9-8-16(12-17(18)26)20-19-21(36-25(4,5)14-31(7-2)22(19)33)30-23(29-20)32-10-11-35-13-15(32)3/h8-9,12,15H,6-7,10-11,13-14H2,1-5H3,(H2,27,28,34)/t15-/m0/s1
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n/an/a 18n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178383
PNG
(US9120812, 168 | US9120812, 169)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccc(C)cn4)cc3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C29H35N7O4/c1-6-35-17-29(4,5)40-25-23(26(35)37)24(33-27(34-25)36-13-14-39-16-19(36)3)20-8-10-21(11-9-20)31-28(38)32-22-12-7-18(2)15-30-22/h7-12,15,19H,6,13-14,16-17H2,1-5H3,(H2,30,31,32,38)/t19-/m0/s1
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n/an/a 18n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50380043
PNG
(CHEMBL2012612)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCC2)s1 |r,wU:7.10,wD:4.3,(43.94,-23.77,;42.4,-23.79,;41.65,-25.13,;41.61,-22.47,;40.07,-22.48,;39.28,-21.16,;37.74,-21.18,;36.99,-22.53,;37.78,-23.85,;39.31,-23.83,;35.46,-22.54,;34.68,-21.23,;33.14,-21.25,;32.39,-22.58,;33.17,-23.9,;34.71,-23.89,;30.85,-22.6,;30.07,-21.27,;30.1,-23.94,;28.56,-23.96,;27.64,-22.72,;26.18,-23.21,;26.19,-24.76,;24.85,-25.51,;23.53,-24.73,;22.3,-25.65,;20.82,-25.21,;19.94,-26.47,;20.87,-27.7,;22.32,-27.2,;27.66,-25.22,)|
Show InChI InChI=1S/C24H31N3O3S/c28-22(29)15-17-5-8-18(9-6-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-7-16-3-1-2-4-16/h10-13,16-18H,1-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18-
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n/an/a 19n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method


Bioorg Med Chem Lett 22: 2497-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178417
PNG
(US9120812, 202)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c2C1=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C29H33FN6O4/c1-5-35-17-29(3,4)40-25-23(26(35)37)24(33-27(34-25)36-14-15-39-16-18(36)2)19-10-12-20(13-11-19)31-28(38)32-22-9-7-6-8-21(22)30/h6-13,18H,5,14-17H2,1-4H3,(H2,31,32,38)/t18-/m0/s1
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n/an/a 19n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178231
PNG
(US9120812, 16)
Show SMILES Cn1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc3OC(C)(C)CN(C4CCOCC4)C(=O)c23)N2CC3CCC(C2)O3)n1 |THB:17:35:42:38.39|
Show InChI InChI=1S/C31H38N8O5/c1-31(2)18-39(21-11-14-42-15-12-21)28(40)25-26(34-29(35-27(25)44-31)38-16-22-8-9-23(17-38)43-22)19-4-6-20(7-5-19)32-30(41)33-24-10-13-37(3)36-24/h4-7,10,13,21-23H,8-9,11-12,14-18H2,1-3H3,(H2,32,33,36,41)
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n/an/a 19n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178358
PNG
(US9120812, 143)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4cnn(C)c4)c(F)c3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:33:36.37:40|
Show InChI InChI=1S/C28H33FN8O4/c1-5-36-15-28(2,3)41-24-22(25(36)38)23(33-26(34-24)37-13-18-7-8-19(14-37)40-18)16-6-9-21(20(29)10-16)32-27(39)31-17-11-30-35(4)12-17/h6,9-12,18-19H,5,7-8,13-15H2,1-4H3,(H2,31,32,39)
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n/an/a 19n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178337
PNG
(US9120812, 122)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccn(C)n4)cc3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:32:35.36:39|
Show InChI InChI=1S/C28H34N8O4/c1-5-35-16-28(2,3)40-24-22(25(35)37)23(31-26(32-24)36-14-19-10-11-20(15-36)39-19)17-6-8-18(9-7-17)29-27(38)30-21-12-13-34(4)33-21/h6-9,12-13,19-20H,5,10-11,14-16H2,1-4H3,(H2,29,30,33,38)
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n/an/a 19n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178438
PNG
(US9120812, 223)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4cccnc4)c(F)c3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:33:36.37:40|
Show InChI InChI=1S/C29H32FN7O4/c1-4-36-16-29(2,3)41-25-23(26(36)38)24(34-27(35-25)37-14-19-8-9-20(15-37)40-19)17-7-10-22(21(30)12-17)33-28(39)32-18-6-5-11-31-13-18/h5-7,10-13,19-20H,4,8-9,14-16H2,1-3H3,(H2,32,33,39)
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n/an/a 20n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178298
PNG
(US9120812, 83)
Show SMILES CN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)c(F)c3)c2C1=O)N1CC2CCC(C1)O2 |THB:9:32:39:35.36|
Show InChI InChI=1S/C28H30FN7O4/c1-28(2)15-35(3)25(37)22-23(33-26(34-24(22)40-28)36-13-18-5-6-19(14-36)39-18)16-4-7-21(20(29)12-16)32-27(38)31-17-8-10-30-11-9-17/h4,7-12,18-19H,5-6,13-15H2,1-3H3,(H2,30,31,32,38)
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n/an/a 20n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178266
PNG
(US9120812, 51)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)c(F)c3)c2C1=O)N1C2CCC1COC2 |TLB:10:33:39.40.38:35.36|
Show InChI InChI=1S/C29H32FN7O4/c1-4-36-16-29(2,3)41-25-23(26(36)38)24(34-27(35-25)37-19-6-7-20(37)15-40-14-19)17-5-8-22(21(30)13-17)33-28(39)32-18-9-11-31-12-10-18/h5,8-13,19-20H,4,6-7,14-16H2,1-3H3,(H2,31,32,33,39)
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n/an/a 20n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178339
PNG
(US9120812, 124)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccc(OC)nc4)c(F)c3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:35:38.39:42|
Show InChI InChI=1S/C30H34FN7O5/c1-5-37-16-30(2,3)43-26-24(27(37)39)25(35-28(36-26)38-14-19-8-9-20(15-38)42-19)17-6-10-22(21(31)12-17)34-29(40)33-18-7-11-23(41-4)32-13-18/h6-7,10-13,19-20H,5,8-9,14-16H2,1-4H3,(H2,33,34,40)
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n/an/a 20n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178387
PNG
(US9120812, 172)
Show SMILES COCCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccon4)cc3)c2C1=O)N1CC2CCC(C1)O2 |THB:12:33:40:36.37|
Show InChI InChI=1S/C28H33N7O6/c1-28(2)16-34(11-13-38-3)25(36)22-23(17-4-6-18(7-5-17)29-27(37)30-21-10-12-39-33-21)31-26(32-24(22)41-28)35-14-19-8-9-20(15-35)40-19/h4-7,10,12,19-20H,8-9,11,13-16H2,1-3H3,(H2,29,30,33,37)
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n/an/a 20n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178327
PNG
(US9120812, 112)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)c2C1=O)N1CC2CCC(C1)O2 |TLB:10:32:35.36:39|
Show InChI InChI=1S/C29H33N7O4/c1-4-35-17-29(2,3)40-25-23(26(35)37)24(33-27(34-25)36-15-21-11-12-22(16-36)39-21)18-7-9-19(10-8-18)31-28(38)32-20-6-5-13-30-14-20/h5-10,13-14,21-22H,4,11-12,15-17H2,1-3H3,(H2,31,32,38)
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n/an/a 20n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178297
PNG
(US9120812, 82)
Show SMILES CN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)c(F)c3)c2C1=O)N1C2CCC1COC2
Show InChI InChI=1S/C28H30FN7O4/c1-28(2)15-35(3)25(37)22-23(33-26(34-24(22)40-28)36-18-5-6-19(36)14-39-13-18)16-4-7-21(20(29)12-16)32-27(38)31-17-8-10-30-11-9-17/h4,7-12,18-19H,5-6,13-15H2,1-3H3,(H2,30,31,32,38)
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n/an/a 21n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178286
PNG
(US9120812, 71)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccncc4)cc3F)c2C1=O)N1CC2CCC(C1)O2
Show InChI InChI=1S/C29H32FN7O4/c1-4-36-16-29(2,3)41-25-23(26(36)38)24(34-27(35-25)37-14-19-6-7-20(15-37)40-19)21-8-5-18(13-22(21)30)33-28(39)32-17-9-11-31-12-10-17/h5,8-13,19-20H,4,6-7,14-16H2,1-3H3,(H2,31,32,33,39)
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n/an/a 21n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178245
PNG
(US9120812, 30)
Show SMILES CCN1CC(C)(C)Oc2nc(nc(-c3ccc(NC(=O)Nc4ccc(nc4)N4CCOC[C@H]4C)c(F)c3)c2C1=O)N1CC2CCC(C1)O2 |r,TLB:10:40:43.44:47|
Show InChI InChI=1S/C34H41FN8O5/c1-5-41-19-34(3,4)48-30-28(31(41)44)29(39-32(40-30)42-16-23-8-9-24(17-42)47-23)21-6-10-26(25(35)14-21)38-33(45)37-22-7-11-27(36-15-22)43-12-13-46-18-20(43)2/h6-7,10-11,14-15,20,23-24H,5,8-9,12-13,16-19H2,1-4H3,(H2,37,38,45)/t20-,23?,24?/m1/s1
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n/an/a 21n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
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
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