Found 113 hits with Last Name = 'le bail' and Initial = 'jc' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499970
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50380043
(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- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50499969
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50380043
(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- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499966
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50380044
(CHEMBL2012614)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CC2CCCC2)s1 |r,wU:7.10,wD:4.3,(41.54,-33.26,;40,-33.28,;39.25,-34.62,;39.22,-31.95,;37.68,-31.97,;36.89,-30.65,;35.35,-30.67,;34.6,-32.02,;35.38,-33.34,;36.92,-33.32,;33.07,-32.03,;32.28,-30.72,;30.75,-30.74,;30,-32.07,;30.77,-33.39,;32.32,-33.37,;28.46,-32.09,;27.67,-30.76,;27.7,-33.43,;26.16,-33.45,;25.24,-32.21,;23.78,-32.7,;23.8,-34.24,;22.46,-35,;21.24,-34.06,;21.28,-32.52,;19.83,-32,;18.89,-33.22,;19.76,-34.49,;25.27,-34.7,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-15-3-1-2-4-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499978
(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+ | PDB
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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
(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- | PDB
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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)) | BDBM50380045
(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- | PDB
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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)) | BDBM50380047
(CHEMBL2012631)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 |r,wU:7.10,wD:4.3,(44.73,-17.98,;43.19,-18,;42.43,-19.34,;42.4,-16.67,;40.86,-16.69,;40.07,-15.37,;38.53,-15.39,;37.78,-16.74,;38.57,-18.05,;40.1,-18.04,;36.25,-16.75,;35.47,-15.43,;33.93,-15.46,;33.18,-16.79,;33.96,-18.11,;35.5,-18.09,;31.64,-16.81,;30.86,-15.48,;30.88,-18.15,;29.34,-18.16,;28.42,-16.93,;26.96,-17.42,;26.98,-18.96,;25.64,-19.72,;24.31,-18.93,;24.33,-17.39,;23.01,-16.61,;21.67,-17.36,;21.66,-18.91,;20.32,-19.67,;22.98,-19.69,;28.45,-19.42,)| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380041
(CHEMBL2012633)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Cc3ccccc3)s2)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O3S/c1-17(2)24(26(33)34)29-25(32)21-10-8-19(9-11-21)20-12-14-22(15-13-20)28-27-31-30-23(35-27)16-18-6-4-3-5-7-18/h3-15,17,24H,16H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)/t24-/m0/s1 | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380046
(CHEMBL2012628)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 |r,wU:7.10,wD:4.3,(15.26,-9.38,;13.72,-9.4,;12.97,-10.74,;12.94,-8.08,;11.4,-8.1,;10.61,-6.77,;9.07,-6.79,;8.32,-8.14,;9.1,-9.46,;10.64,-9.44,;6.78,-8.16,;6,-6.84,;4.46,-6.86,;3.72,-8.19,;4.49,-9.51,;6.04,-9.5,;2.18,-8.21,;1.39,-6.88,;1.42,-9.55,;-.12,-9.57,;-1.04,-8.33,;-2.5,-8.83,;-2.48,-10.37,;-3.83,-11.12,;-5.15,-10.34,;-6.48,-11.09,;-7.81,-10.32,;-7.8,-8.77,;-6.45,-8.01,;-6.44,-6.47,;-5.13,-8.8,;-1.01,-10.83,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380044
(CHEMBL2012614)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CC2CCCC2)s1 |r,wU:7.10,wD:4.3,(41.54,-33.26,;40,-33.28,;39.25,-34.62,;39.22,-31.95,;37.68,-31.97,;36.89,-30.65,;35.35,-30.67,;34.6,-32.02,;35.38,-33.34,;36.92,-33.32,;33.07,-32.03,;32.28,-30.72,;30.75,-30.74,;30,-32.07,;30.77,-33.39,;32.32,-33.37,;28.46,-32.09,;27.67,-30.76,;27.7,-33.43,;26.16,-33.45,;25.24,-32.21,;23.78,-32.7,;23.8,-34.24,;22.46,-35,;21.24,-34.06,;21.28,-32.52,;19.83,-32,;18.89,-33.22,;19.76,-34.49,;25.27,-34.7,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-15-3-1-2-4-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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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)) | BDBM50380048
(CHEMBL2012629)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 |r,wU:7.10,wD:4.3,(42.15,-8.67,;40.61,-8.69,;39.86,-10.04,;39.82,-7.37,;38.28,-7.39,;37.49,-6.06,;35.96,-6.08,;35.21,-7.43,;35.99,-8.75,;37.52,-8.74,;33.67,-7.45,;32.89,-6.13,;31.35,-6.15,;30.6,-7.49,;31.38,-8.8,;32.92,-8.79,;29.06,-7.5,;28.28,-6.18,;28.31,-8.84,;26.77,-8.86,;25.85,-7.63,;24.39,-8.12,;24.4,-9.66,;23.06,-10.41,;21.74,-9.63,;21.76,-8.09,;20.43,-7.31,;19.09,-8.06,;19.08,-9.61,;20.4,-10.39,;20.39,-11.93,;25.87,-10.12,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-4-2-1-3-19(20)14-21-27-28-24(32-21)26-23(31)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-22(29)30/h1-4,9-12,15-16H,5-8,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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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)) | BDBM50380045
(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- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380045
(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- | PDB
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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
(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- | PDB
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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)) | BDBM50380049
(CHEMBL2012611)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCCC2)s1 |r,wU:7.10,wD:4.3,(15.04,-25.76,;13.5,-25.78,;12.74,-27.12,;12.71,-24.46,;11.17,-24.48,;10.38,-23.15,;8.84,-23.17,;8.09,-24.52,;8.87,-25.84,;10.41,-25.82,;6.56,-24.54,;5.77,-23.22,;4.24,-23.24,;3.49,-24.57,;4.27,-25.89,;5.81,-25.88,;1.95,-24.59,;1.17,-23.26,;1.19,-25.93,;-.35,-25.95,;-1.27,-24.71,;-2.72,-25.21,;-2.71,-26.75,;-4.05,-27.5,;-5.38,-26.72,;-6.72,-27.47,;-8.04,-26.68,;-9.38,-27.44,;-9.4,-28.98,;-8.06,-29.76,;-6.73,-29,;-1.24,-27.21,)| Show InChI InChI=1S/C25H33N3O3S/c29-23(30)16-18-6-9-19(10-7-18)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)15-8-17-4-2-1-3-5-17/h11-14,17-19H,1-10,15-16H2,(H,29,30)(H,26,28,31)/t18-,19- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380050
(CHEMBL2012622)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.91,-18.68,;43.37,-18.7,;42.62,-20.04,;42.59,-17.38,;41.05,-17.39,;40.26,-16.07,;38.72,-16.09,;37.97,-17.44,;38.75,-18.76,;40.29,-18.74,;36.44,-17.45,;35.65,-16.14,;34.11,-16.16,;33.36,-17.49,;34.14,-18.81,;35.69,-18.8,;31.82,-17.51,;31.04,-16.18,;31.07,-18.85,;29.53,-18.87,;28.61,-17.63,;27.15,-18.12,;27.16,-19.67,;25.82,-20.42,;24.5,-19.64,;23.15,-20.39,;21.83,-19.6,;20.49,-20.36,;20.47,-21.9,;19.13,-22.66,;21.81,-22.68,;23.14,-21.92,;28.63,-20.13,)| Show InChI InChI=1S/C24H24FN3O4S/c25-19-9-11-20(12-10-19)32-14-21-27-28-24(33-21)26-23(31)18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-22(29)30/h5-12,15-16H,1-4,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499982
(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+ | PDB
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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)) | BDBM50380048
(CHEMBL2012629)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 |r,wU:7.10,wD:4.3,(42.15,-8.67,;40.61,-8.69,;39.86,-10.04,;39.82,-7.37,;38.28,-7.39,;37.49,-6.06,;35.96,-6.08,;35.21,-7.43,;35.99,-8.75,;37.52,-8.74,;33.67,-7.45,;32.89,-6.13,;31.35,-6.15,;30.6,-7.49,;31.38,-8.8,;32.92,-8.79,;29.06,-7.5,;28.28,-6.18,;28.31,-8.84,;26.77,-8.86,;25.85,-7.63,;24.39,-8.12,;24.4,-9.66,;23.06,-10.41,;21.74,-9.63,;21.76,-8.09,;20.43,-7.31,;19.09,-8.06,;19.08,-9.61,;20.4,-10.39,;20.39,-11.93,;25.87,-10.12,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-4-2-1-3-19(20)14-21-27-28-24(32-21)26-23(31)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-22(29)30/h1-4,9-12,15-16H,5-8,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380046
(CHEMBL2012628)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 |r,wU:7.10,wD:4.3,(15.26,-9.38,;13.72,-9.4,;12.97,-10.74,;12.94,-8.08,;11.4,-8.1,;10.61,-6.77,;9.07,-6.79,;8.32,-8.14,;9.1,-9.46,;10.64,-9.44,;6.78,-8.16,;6,-6.84,;4.46,-6.86,;3.72,-8.19,;4.49,-9.51,;6.04,-9.5,;2.18,-8.21,;1.39,-6.88,;1.42,-9.55,;-.12,-9.57,;-1.04,-8.33,;-2.5,-8.83,;-2.48,-10.37,;-3.83,-11.12,;-5.15,-10.34,;-6.48,-11.09,;-7.81,-10.32,;-7.8,-8.77,;-6.45,-8.01,;-6.44,-6.47,;-5.13,-8.8,;-1.01,-10.83,)| Show InChI InChI=1S/C24H24FN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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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)) | BDBM50380025
(CHEMBL2012610)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccccc2)s1 |r,wU:7.10,wD:4.3,(42.73,-17.37,;41.19,-17.39,;40.44,-18.73,;40.41,-16.07,;38.87,-16.09,;38.08,-14.76,;36.54,-14.78,;35.79,-16.13,;36.57,-17.45,;38.11,-17.43,;34.25,-16.15,;33.47,-14.83,;31.93,-14.85,;31.18,-16.18,;31.96,-17.5,;33.5,-17.49,;29.64,-16.2,;28.86,-14.87,;28.89,-17.54,;27.35,-17.56,;26.43,-16.32,;24.97,-16.82,;24.98,-18.36,;23.64,-19.11,;22.32,-18.33,;20.97,-19.08,;19.65,-18.29,;18.31,-19.05,;18.29,-20.59,;19.63,-21.37,;20.96,-20.62,;26.45,-18.82,)| Show InChI InChI=1S/C24H25N3O4S/c28-22(29)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23(30)25-24-27-26-21(32-24)15-31-20-4-2-1-3-5-20/h1-5,10-13,16-17H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t16-,17- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499974
(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- | PDB
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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)) | BDBM50380051
(CHEMBL2012620)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCCc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(22.05,-6.24,;20.51,-6.26,;19.76,-7.6,;19.72,-4.93,;18.18,-4.95,;17.39,-3.63,;15.85,-3.65,;15.1,-5,;15.89,-6.32,;17.42,-6.3,;13.57,-5.01,;12.79,-3.7,;11.25,-3.72,;10.5,-5.05,;11.28,-6.37,;12.82,-6.36,;8.96,-5.07,;8.18,-3.74,;8.2,-6.41,;6.66,-6.43,;5.75,-5.19,;4.29,-5.68,;4.3,-7.23,;3.03,-8.1,;1.64,-7.45,;.29,-8.19,;-1.02,-7.39,;-2.37,-8.13,;-3.69,-7.33,;-3.65,-5.79,;-4.97,-4.99,;-2.29,-5.05,;-.98,-5.85,;5.77,-7.69,)| Show InChI InChI=1S/C26H28FN3O3S/c27-22-14-6-17(7-15-22)2-1-3-23-29-30-26(34-23)28-25(33)21-12-10-20(11-13-21)19-8-4-18(5-9-19)16-24(31)32/h6-7,10-15,18-19H,1-5,8-9,16H2,(H,31,32)(H,28,30,33)/t18-,19- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499965
(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+ | PDB
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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)) | BDBM50380047
(CHEMBL2012631)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 |r,wU:7.10,wD:4.3,(44.73,-17.98,;43.19,-18,;42.43,-19.34,;42.4,-16.67,;40.86,-16.69,;40.07,-15.37,;38.53,-15.39,;37.78,-16.74,;38.57,-18.05,;40.1,-18.04,;36.25,-16.75,;35.47,-15.43,;33.93,-15.46,;33.18,-16.79,;33.96,-18.11,;35.5,-18.09,;31.64,-16.81,;30.86,-15.48,;30.88,-18.15,;29.34,-18.16,;28.42,-16.93,;26.96,-17.42,;26.98,-18.96,;25.64,-19.72,;24.31,-18.93,;24.33,-17.39,;23.01,-16.61,;21.67,-17.36,;21.66,-18.91,;20.32,-19.67,;22.98,-19.69,;28.45,-19.42,)| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-3-1-2-16(12-20)13-21-27-28-24(32-21)26-23(31)19-10-8-18(9-11-19)17-6-4-15(5-7-17)14-22(29)30/h1-3,8-12,15,17H,4-7,13-14H2,(H,29,30)(H,26,28,31)/t15-,17- | PDB
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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)) | BDBM50499973
(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+ | PDB
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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)) | BDBM50380052
(CHEMBL2012613)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCC2)s1 |r,wU:7.10,wD:4.3,(13.19,-35.05,;11.65,-35.07,;10.9,-36.41,;10.87,-33.74,;9.33,-33.76,;8.54,-32.44,;7,-32.46,;6.25,-33.81,;7.03,-35.13,;8.57,-35.11,;4.72,-33.82,;3.93,-32.51,;2.4,-32.53,;1.65,-33.86,;2.42,-35.18,;3.97,-35.16,;.11,-33.88,;-.68,-32.55,;-.65,-35.22,;-2.19,-35.23,;-3.11,-34,;-4.57,-34.49,;-4.55,-36.03,;-5.89,-36.79,;-7.22,-36,;-7.2,-34.46,;-6.1,-33.39,;-7.18,-32.29,;-8.28,-33.36,;-3.08,-36.49,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-4-7-17(8-5-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-6-15-2-1-3-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499976
(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- | PDB
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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)) | BDBM50380053
(CHEMBL2012619)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(18.16,-8.88,;16.62,-8.9,;15.86,-10.24,;15.83,-7.57,;14.29,-7.59,;13.5,-6.27,;11.96,-6.29,;11.21,-7.64,;12,-8.95,;13.53,-8.94,;9.68,-7.65,;8.89,-6.33,;7.36,-6.36,;6.61,-7.69,;7.39,-9.01,;8.93,-8.99,;5.07,-7.71,;4.29,-6.38,;4.31,-9.05,;2.77,-9.06,;1.85,-7.83,;.39,-8.32,;.41,-9.86,;-.93,-10.62,;-2.26,-9.83,;-3.6,-10.59,;-4.92,-9.8,;-6.26,-10.55,;-6.28,-12.1,;-7.62,-12.85,;-4.95,-12.88,;-3.61,-12.12,;1.88,-10.32,)| Show InChI InChI=1S/C25H26FN3O3S/c26-21-12-3-16(4-13-21)5-14-22-28-29-25(33-22)27-24(32)20-10-8-19(9-11-20)18-6-1-17(2-7-18)15-23(30)31/h3-4,8-13,17-18H,1-2,5-7,14-15H2,(H,30,31)(H,27,29,32)/t17-,18- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50380028
(CHEMBL2012608)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCc2ccccc2)s1 |r,wU:7.10,wD:4.3,(41.1,-9.44,;39.56,-9.46,;38.8,-10.8,;38.77,-8.13,;37.23,-8.15,;36.44,-6.83,;34.9,-6.85,;34.15,-8.19,;34.93,-9.51,;36.47,-9.5,;32.62,-8.21,;31.83,-6.89,;30.3,-6.92,;29.55,-8.25,;30.32,-9.57,;31.87,-9.55,;28.01,-8.26,;27.22,-6.94,;27.25,-9.61,;25.71,-9.62,;24.79,-8.39,;23.33,-8.88,;23.35,-10.42,;22.01,-11.18,;20.68,-10.39,;19.34,-11.15,;18.02,-10.36,;16.68,-11.11,;16.66,-12.66,;17.99,-13.44,;19.33,-12.68,;24.82,-10.88,)| Show InChI InChI=1S/C25H27N3O3S/c29-23(30)16-18-6-9-19(10-7-18)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)15-8-17-4-2-1-3-5-17/h1-5,11-14,18-19H,6-10,15-16H2,(H,29,30)(H,26,28,31)/t18-,19- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499964
(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- | PDB
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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
(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? | PDB
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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)) | BDBM50380054
(CHEMBL2012632)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2Cl)s1 |r,wU:7.10,wD:4.3,(15.75,-24.57,;14.21,-24.58,;13.46,-25.93,;13.43,-23.26,;11.89,-23.28,;11.1,-21.95,;9.56,-21.98,;8.81,-23.32,;9.59,-24.64,;11.13,-24.63,;7.28,-23.34,;6.49,-22.02,;4.95,-22.05,;4.21,-23.38,;4.98,-24.7,;6.53,-24.68,;2.67,-23.39,;1.88,-22.07,;1.91,-24.74,;.37,-24.75,;-.55,-23.52,;-2.01,-24.01,;-1.99,-25.55,;-3.34,-26.31,;-4.66,-25.52,;-4.64,-23.98,;-5.96,-23.2,;-7.31,-23.95,;-7.32,-25.5,;-5.99,-26.28,;-6,-27.82,;-.52,-26.01,)| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-4-2-1-3-19(20)14-21-27-28-24(32-21)26-23(31)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-22(29)30/h1-4,9-12,15-16H,5-8,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499965
(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+ | PDB
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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)) | BDBM50380027
(CHEMBL2012601)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccccc1 |r,wU:7.10,wD:4.3,(15.1,-34.92,;13.56,-34.94,;12.8,-36.29,;12.77,-33.62,;11.23,-33.64,;10.44,-32.31,;8.9,-32.33,;8.15,-33.68,;8.93,-35,;10.47,-34.99,;6.62,-33.7,;5.83,-32.38,;4.3,-32.4,;3.55,-33.74,;4.33,-35.05,;5.87,-35.04,;2.01,-33.75,;1.25,-35.09,;1.22,-32.43,;-.32,-32.44,;-1.23,-31.21,;-2.69,-31.7,;-2.68,-33.24,;-1.21,-33.7,;-3.99,-34.05,;-5.34,-33.32,;-6.65,-34.12,;-6.61,-35.66,;-5.24,-36.39,;-3.94,-35.58,)| Show InChI InChI=1S/C23H23N3O3S/c27-20(28)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21(29)24-23-26-25-22(30-23)19-4-2-1-3-5-19/h1-5,10-13,15-16H,6-9,14H2,(H,27,28)(H,24,26,29)/t15-,16- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50499977
(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- | PDB
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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)) | BDBM50380050
(CHEMBL2012622)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.91,-18.68,;43.37,-18.7,;42.62,-20.04,;42.59,-17.38,;41.05,-17.39,;40.26,-16.07,;38.72,-16.09,;37.97,-17.44,;38.75,-18.76,;40.29,-18.74,;36.44,-17.45,;35.65,-16.14,;34.11,-16.16,;33.36,-17.49,;34.14,-18.81,;35.69,-18.8,;31.82,-17.51,;31.04,-16.18,;31.07,-18.85,;29.53,-18.87,;28.61,-17.63,;27.15,-18.12,;27.16,-19.67,;25.82,-20.42,;24.5,-19.64,;23.15,-20.39,;21.83,-19.6,;20.49,-20.36,;20.47,-21.9,;19.13,-22.66,;21.81,-22.68,;23.14,-21.92,;28.63,-20.13,)| Show InChI InChI=1S/C24H24FN3O4S/c25-19-9-11-20(12-10-19)32-14-21-27-28-24(33-21)26-23(31)18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-22(29)30/h5-12,15-16H,1-4,13-14H2,(H,29,30)(H,26,28,31)/t15-,16- | PDB
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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)) | BDBM50380052
(CHEMBL2012613)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCC2)s1 |r,wU:7.10,wD:4.3,(13.19,-35.05,;11.65,-35.07,;10.9,-36.41,;10.87,-33.74,;9.33,-33.76,;8.54,-32.44,;7,-32.46,;6.25,-33.81,;7.03,-35.13,;8.57,-35.11,;4.72,-33.82,;3.93,-32.51,;2.4,-32.53,;1.65,-33.86,;2.42,-35.18,;3.97,-35.16,;.11,-33.88,;-.68,-32.55,;-.65,-35.22,;-2.19,-35.23,;-3.11,-34,;-4.57,-34.49,;-4.55,-36.03,;-5.89,-36.79,;-7.22,-36,;-7.2,-34.46,;-6.1,-33.39,;-7.18,-32.29,;-8.28,-33.36,;-3.08,-36.49,)| Show InChI InChI=1S/C23H29N3O3S/c27-21(28)14-16-4-7-17(8-5-16)18-9-11-19(12-10-18)22(29)24-23-26-25-20(30-23)13-6-15-2-1-3-15/h9-12,15-17H,1-8,13-14H2,(H,27,28)(H,24,26,29)/t16-,17- | PDB
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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)) | BDBM50499975
(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- | PDB
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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)) | BDBM50380025
(CHEMBL2012610)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccccc2)s1 |r,wU:7.10,wD:4.3,(42.73,-17.37,;41.19,-17.39,;40.44,-18.73,;40.41,-16.07,;38.87,-16.09,;38.08,-14.76,;36.54,-14.78,;35.79,-16.13,;36.57,-17.45,;38.11,-17.43,;34.25,-16.15,;33.47,-14.83,;31.93,-14.85,;31.18,-16.18,;31.96,-17.5,;33.5,-17.49,;29.64,-16.2,;28.86,-14.87,;28.89,-17.54,;27.35,-17.56,;26.43,-16.32,;24.97,-16.82,;24.98,-18.36,;23.64,-19.11,;22.32,-18.33,;20.97,-19.08,;19.65,-18.29,;18.31,-19.05,;18.29,-20.59,;19.63,-21.37,;20.96,-20.62,;26.45,-18.82,)| Show InChI InChI=1S/C24H25N3O4S/c28-22(29)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23(30)25-24-27-26-21(32-24)15-31-20-4-2-1-3-5-20/h1-5,10-13,16-17H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t16-,17- | PDB
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| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50499979
(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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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
(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- | PDB
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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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