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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'birtles' and Initial = 's'   
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 (DGAT1)


(Homo sapiens (Human))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacyl Glycerolacyltransferase 1 (DGAT-1)


(Rattus norvegicus (rat))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of rat DGAT1


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385439
PNG
(CHEMBL2036745)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 |r,wU:7.10,wD:4.3,(45.29,-27.64,;44.52,-28.98,;42.98,-28.97,;45.28,-30.31,;46.82,-30.32,;47.6,-31.66,;49.13,-31.66,;49.9,-30.34,;49.14,-29,;47.6,-28.99,;51.43,-30.34,;52.21,-29.01,;53.75,-29.02,;54.51,-30.36,;56.05,-30.37,;56.83,-29.04,;56.07,-27.71,;58.38,-29.05,;58.85,-27.59,;60.38,-27.59,;60.86,-29.05,;62.19,-29.81,;63.52,-29.04,;63.51,-27.5,;64.83,-26.72,;66.18,-27.49,;66.19,-29.03,;64.86,-29.81,;64.86,-31.35,;59.62,-29.96,;53.74,-31.69,;52.2,-31.69,)|
Show InChI InChI=1S/C23H23FN4O4/c24-18-3-1-2-4-19(18)26-23-28-27-22(32-23)21(31)25-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-20(29)30/h1-4,9-12,14-15H,5-8,13H2,(H,25,31)(H,26,28)(H,29,30)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385429
PNG
(CHEMBL2036734)
Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(c2)-c2ccccc2)o1
Show InChI InChI=1S/C24H22N6O3/c31-22(26-20-9-10-21(25-16-20)30-11-13-32-14-12-30)23-28-29-24(33-23)27-19-8-4-7-18(15-19)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385424
PNG
(CHEMBL2036596)
Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(Oc3ccccc3)c2)o1
Show InChI InChI=1S/C24H22N6O4/c31-22(26-18-9-10-21(25-16-18)30-11-13-32-14-12-30)23-28-29-24(34-23)27-17-5-4-8-20(15-17)33-19-6-2-1-3-7-19/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385412
PNG
(CHEMBL2036583)
Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C20H14FN5O3/c21-15-8-4-5-9-16(15)24-20-26-25-19(29-20)18(27)23-13-10-11-17(22-12-13)28-14-6-2-1-3-7-14/h1-12H,(H,23,27)(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacyl Glycerolacyltransferase 1 (DGAT-1)


(Rattus norvegicus (rat))
BDBM27950
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2 |c:12|
Show InChI InChI=1S/C24H28N4O3/c1-22(2)19(28-18-20(25)26-14-27-21(18)31-22)15-3-5-16(6-4-15)24-10-7-23(8-11-24,9-12-24)13-17(29)30/h3-6,14H,7-13H2,1-2H3,(H,29,30)(H2,25,26,27)
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AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in human HuTu80 cells


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in human adipose tissue assessed as reduction in triacylglycerol synthesis


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385425
PNG
(CHEMBL2036597)
Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(OCc3ccccc3)c2)o1
Show InChI InChI=1S/C25H24N6O4/c32-23(27-20-9-10-22(26-16-20)31-11-13-33-14-12-31)24-29-30-25(35-24)28-19-7-4-8-21(15-19)34-17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,27,32)(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM27947
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)|
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
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AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM27950
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2 |c:12|
Show InChI InChI=1S/C24H28N4O3/c1-22(2)19(28-18-20(25)26-14-27-21(18)31-22)15-3-5-16(6-4-15)24-10-7-23(8-11-24,9-12-24)13-17(29)30/h3-6,14H,7-13H2,1-2H3,(H,29,30)(H2,25,26,27)
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n/an/a 15n/an/an/an/a7.422



AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385415
PNG
(CHEMBL2036586)
Show SMILES CCCCSc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
Show InChI InChI=1S/C19H19FN4O2S/c1-2-3-12-27-14-10-8-13(9-11-14)21-17(25)18-23-24-19(26-18)22-16-7-5-4-6-15(16)20/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacyl Glycerolacyltransferase 1 (DGAT-1)


(Rattus norvegicus (rat))
BDBM27947
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)|
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
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n/an/a 19n/an/an/an/a7.422



AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385403
PNG
(CHEMBL2036574)
Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(nc1)N1CCSCC1
Show InChI InChI=1S/C18H17FN6O2S/c19-13-3-1-2-4-14(13)22-18-24-23-17(27-18)16(26)21-12-5-6-15(20-11-12)25-7-9-28-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM27951
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC(C(O)=O)C12CCC(CC1)(CC2)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |t:22|
Show InChI InChI=1S/C25H30N4O3/c1-15(22(30)31)24-8-11-25(12-9-24,13-10-24)17-6-4-16(5-7-17)19-23(2,3)32-21-18(29-19)20(26)27-14-28-21/h4-7,14-15H,8-13H2,1-3H3,(H,30,31)(H2,26,27,28)
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AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM27949
PNG
(4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC1)(CC2)C(O)=O |c:12|
Show InChI InChI=1S/C23H26N4O3/c1-21(2)17(27-16-18(24)25-13-26-19(16)30-21)14-3-5-15(6-4-14)22-7-10-23(11-8-22,12-9-22)20(28)29/h3-6,13H,7-12H2,1-2H3,(H,28,29)(H2,24,25,26)
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AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399678
PNG
(CHEMBL2178369)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](Cc3nnn[nH]3)CC2)c1 |r,wD:18.18,21.23,(61.99,-24.12,;63.32,-23.35,;64.66,-24.12,;65.99,-23.35,;67.32,-24.11,;65.99,-21.81,;64.65,-21.04,;63.32,-21.81,;61.99,-21.03,;60.65,-21.8,;61.99,-19.49,;67.32,-21.04,;67.32,-19.5,;68.65,-18.73,;69.98,-19.49,;69.99,-21.03,;71.46,-21.5,;72.36,-20.25,;71.45,-19,;70.35,-17.92,;70.75,-16.43,;72.23,-16.03,;72.63,-14.54,;74.11,-14.14,;74.67,-12.69,;76.2,-12.77,;76.61,-14.26,;75.32,-15.1,;73.32,-17.12,;72.93,-18.6,;68.65,-21.81,)|
Show InChI InChI=1S/C23H27N7O/c1-13-20(26-21(22(24)31)14(2)25-13)17-3-4-18-16(12-17)7-10-23(18)8-5-15(6-9-23)11-19-27-29-30-28-19/h3-4,12,15H,5-11H2,1-2H3,(H2,24,31)(H,27,28,29,30)/t15-,23-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399681
PNG
(CHEMBL2178947)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wD:18.18,21.23,(18.55,-22.65,;19.88,-21.88,;21.22,-22.65,;22.55,-21.88,;23.89,-22.64,;22.55,-20.34,;21.22,-19.57,;19.88,-20.34,;18.55,-19.56,;17.22,-20.33,;18.55,-18.02,;23.88,-19.57,;23.88,-18.03,;25.21,-17.26,;26.55,-18.02,;26.56,-19.56,;28.03,-20.03,;28.93,-18.78,;28.01,-17.53,;26.91,-16.45,;27.31,-14.96,;28.79,-14.56,;29.19,-13.07,;30.68,-12.67,;31.77,-13.75,;31.07,-11.18,;29.88,-15.65,;29.49,-17.13,;25.21,-20.34,)|
Show InChI InChI=1S/C23H27N3O3/c1-13-20(26-21(22(24)29)14(2)25-13)17-3-4-18-16(12-17)7-10-23(18)8-5-15(6-9-23)11-19(27)28/h3-4,12,15H,5-11H2,1-2H3,(H2,24,29)(H,27,28)/t15-,23-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399685
PNG
(CHEMBL2178943)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@H]2CC[C@H](CC(O)=O)CC2)c(Cl)c1 |r,wU:15.15,wD:18.19,(21.76,-10.54,;23.09,-9.77,;24.44,-10.54,;25.76,-9.77,;27.1,-10.53,;25.76,-8.23,;24.43,-7.46,;23.09,-8.23,;21.76,-7.45,;20.43,-8.22,;21.76,-5.91,;27.09,-7.46,;27.09,-5.92,;28.42,-5.15,;29.76,-5.91,;31.09,-5.14,;31.08,-3.6,;32.42,-2.83,;33.76,-3.6,;35.09,-2.83,;36.42,-3.6,;37.76,-2.83,;36.42,-5.14,;33.75,-5.14,;32.43,-5.91,;29.76,-7.46,;31.1,-8.23,;28.43,-8.23,)|
Show InChI InChI=1S/C21H24ClN3O3/c1-11-19(25-20(21(23)28)12(2)24-11)15-7-8-16(17(22)10-15)14-5-3-13(4-6-14)9-18(26)27/h7-8,10,13-14H,3-6,9H2,1-2H3,(H2,23,28)(H,26,27)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385423
PNG
(CHEMBL2036595)
Show SMILES CCOc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1
Show InChI InChI=1S/C20H22N6O4/c1-2-29-16-5-3-4-14(12-16)23-20-25-24-19(30-20)18(27)22-15-6-7-17(21-13-15)26-8-10-28-11-9-26/h3-7,12-13H,2,8-11H2,1H3,(H,22,27)(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385440
PNG
(CHEMBL2036729)
Show SMILES OC(=O)C1CCC(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 |(-8.73,-41.91,;-7.96,-43.25,;-8.74,-44.58,;-6.42,-43.26,;-5.64,-41.92,;-4.1,-41.93,;-3.34,-43.27,;-4.11,-44.6,;-5.65,-44.6,;-1.81,-43.28,;-1.03,-41.95,;.51,-41.96,;1.27,-43.3,;2.81,-43.31,;3.59,-41.98,;2.83,-40.64,;5.14,-41.99,;5.61,-40.53,;7.14,-40.52,;7.62,-41.98,;8.95,-42.75,;10.28,-41.97,;10.27,-40.44,;11.59,-39.66,;12.94,-40.42,;12.95,-41.96,;11.62,-42.74,;11.62,-44.28,;6.38,-42.89,;.5,-44.63,;-1.04,-44.62,)|
Show InChI InChI=1S/C22H21FN4O4/c23-17-3-1-2-4-18(17)25-22-27-26-20(31-22)19(28)24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)21(29)30/h1-4,9-13,15H,5-8H2,(H,24,28)(H,25,27)(H,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399715
PNG
(CHEMBL2178373)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)C12CCC(Cc3nnn[nH]3)(CC1)CC2
Show InChI InChI=1S/C23H27N7O/c1-14-19(26-20(21(24)31)15(2)25-14)16-3-5-17(6-4-16)23-10-7-22(8-11-23,9-12-23)13-18-27-29-30-28-18/h3-6H,7-13H2,1-2H3,(H2,24,31)(H,27,28,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385411
PNG
(CHEMBL2036582)
Show SMILES CCCCOc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1
Show InChI InChI=1S/C18H18FN5O3/c1-2-3-10-26-15-9-8-12(11-20-15)21-16(25)17-23-24-18(27-17)22-14-7-5-4-6-13(14)19/h4-9,11H,2-3,10H2,1H3,(H,21,25)(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385414
PNG
(CHEMBL2036585)
Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Nc2ccccc2)nc1
Show InChI InChI=1S/C20H15FN6O2/c21-15-8-4-5-9-16(15)25-20-27-26-19(29-20)18(28)24-14-10-11-17(22-12-14)23-13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,28)(H,25,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399688
PNG
(CHEMBL2178940)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:17.18,wD:20.22,(23.91,-49.49,;25.24,-48.72,;26.58,-49.49,;27.91,-48.72,;29.24,-49.48,;27.91,-47.18,;26.57,-46.41,;25.24,-47.17,;23.91,-46.4,;22.57,-47.17,;23.91,-44.86,;29.24,-46.41,;30.57,-47.18,;31.91,-46.41,;31.9,-44.86,;30.57,-44.1,;29.24,-44.87,;33.24,-44.09,;33.23,-42.55,;34.57,-41.78,;35.9,-42.55,;37.24,-41.78,;38.57,-42.55,;38.73,-44.08,;40.24,-44.4,;41.01,-43.07,;39.98,-41.92,;35.9,-44.09,;34.57,-44.86,)|
Show InChI InChI=1S/C21H25N7O/c1-12-19(24-20(21(22)29)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18-25-27-28-26-18/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,29)(H,25,26,27,28)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399686
PNG
(CHEMBL2178942)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@H]2CC[C@H](CC(O)=O)CC2)c(F)c1 |r,wU:15.15,wD:18.19,(3.62,-10.18,;4.96,-9.41,;6.3,-10.18,;7.63,-9.41,;8.96,-10.18,;7.62,-7.87,;6.29,-7.1,;4.96,-7.87,;3.62,-7.1,;2.29,-7.86,;3.63,-5.56,;8.95,-7.11,;8.96,-5.56,;10.29,-4.79,;11.62,-5.55,;12.95,-4.78,;12.95,-3.25,;14.28,-2.47,;15.62,-3.24,;16.95,-2.47,;18.29,-3.24,;19.62,-2.47,;18.29,-4.78,;15.62,-4.78,;14.29,-5.55,;11.63,-7.1,;12.96,-7.87,;10.29,-7.88,)|
Show InChI InChI=1S/C21H24FN3O3/c1-11-19(25-20(21(23)28)12(2)24-11)15-7-8-16(17(22)10-15)14-5-3-13(4-6-14)9-18(26)27/h7-8,10,13-14H,3-6,9H2,1-2H3,(H2,23,28)(H,26,27)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
O-acyltransferase


(Canis familiaris)
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in dog liver microsomes


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM27952
PNG
(2-[5-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CCC2 |c:12,(7.57,-6.87,;8.39,-5.6,;6.94,-5.51,;7.75,-4.15,;8.66,-2.98,;7.93,-1.62,;8.84,-.35,;10.38,-.44,;11.01,-1.8,;12.55,-1.98,;10.11,-3.07,;10.83,-4.42,;9.93,-5.69,;10.56,-7.05,;12.1,-7.23,;12.83,-8.59,;11.92,-9.86,;10.38,-9.77,;9.75,-8.32,;12.64,-11.22,;13.82,-12.03,;14.09,-13.39,;13.37,-14.66,;13.37,-16.2,;14.73,-16.93,;16,-16.2,;14.73,-18.47,;12.01,-13.94,;11.65,-12.49,;14.82,-13.94,;15.18,-12.4,;14.18,-11.22,)|
Show InChI InChI=1S/C25H30N4O3/c1-23(2)20(29-19-21(26)27-15-28-22(19)32-23)16-4-6-17(7-5-16)25-9-3-8-24(10-12-25,11-13-25)14-18(30)31/h4-7,15H,3,8-14H2,1-2H3,(H,30,31)(H2,26,27,28)
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n/an/a 69n/an/an/an/a7.422



AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385444
PNG
(CHEMBL2036742)
Show SMILES OC(=O)Cc1cccc(c1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
Show InChI InChI=1S/C23H17FN4O4/c24-18-6-1-2-7-19(18)26-23-28-27-22(32-23)21(31)25-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-20(29)30/h1-12H,13H2,(H,25,31)(H,26,28)(H,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in human liver microsomes


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399682
PNG
(CHEMBL2178946)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@@H]2CC[C@H](CC(O)=O)CC2)c(Cl)c1 |r,wU:15.15,18.19,(2.81,-20.05,;4.14,-19.28,;5.48,-20.05,;6.81,-19.28,;8.14,-20.05,;6.81,-17.74,;5.47,-16.97,;4.14,-17.74,;2.81,-16.97,;1.47,-17.73,;2.81,-15.43,;8.14,-16.98,;8.14,-15.43,;9.47,-14.66,;10.8,-15.42,;12.14,-14.65,;13.47,-15.42,;14.8,-14.65,;14.8,-13.11,;16.14,-12.34,;17.47,-13.11,;18.8,-12.34,;17.47,-14.65,;13.47,-12.34,;12.13,-13.12,;10.81,-16.97,;12.14,-17.74,;9.47,-17.75,)|
Show InChI InChI=1S/C21H24ClN3O3/c1-11-19(25-20(21(23)28)12(2)24-11)15-7-8-16(17(22)10-15)14-5-3-13(4-6-14)9-18(26)27/h7-8,10,13-14H,3-6,9H2,1-2H3,(H2,23,28)(H,26,27)/t13-,14+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399714
PNG
(CHEMBL2178371)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)C12CCC(CC1)(CC2)C(O)=O
Show InChI InChI=1S/C22H25N3O3/c1-13-17(25-18(19(23)26)14(2)24-13)15-3-5-16(6-4-15)21-7-10-22(11-8-21,12-9-21)20(27)28/h3-6H,7-12H2,1-2H3,(H2,23,26)(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385437
PNG
(CHEMBL2036743)
Show SMILES OC(=O)Cc1ccc(cc1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
Show InChI InChI=1S/C23H17FN4O4/c24-18-3-1-2-4-19(18)26-23-28-27-22(32-23)21(31)25-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-20(29)30/h1-12H,13H2,(H,25,31)(H,26,28)(H,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Rattus norvegicus (rat))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in rat adipose tissue assessed as reduction in triacylglycerol synthesis


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385420
PNG
(CHEMBL2036592)
Show SMILES Clc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1
Show InChI InChI=1S/C18H17ClN6O3/c19-12-2-1-3-13(10-12)22-18-24-23-17(28-18)16(26)21-14-4-5-15(20-11-14)25-6-8-27-9-7-25/h1-5,10-11H,6-9H2,(H,21,26)(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399689
PNG
(CHEMBL2178939)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(=O)NS(C)(=O)=O)CC1 |r,wU:17.18,wD:20.22,(3.84,-47.51,;5.17,-46.74,;6.52,-47.51,;7.84,-46.74,;9.18,-47.51,;7.84,-45.21,;6.51,-44.43,;5.18,-45.2,;3.84,-44.43,;2.51,-45.2,;3.84,-42.89,;9.17,-44.44,;10.51,-45.21,;11.84,-44.44,;11.84,-42.89,;10.5,-42.12,;9.17,-42.89,;13.17,-42.12,;13.16,-40.58,;14.5,-39.81,;15.84,-40.58,;17.17,-39.81,;18.51,-40.58,;18.51,-42.12,;19.84,-39.81,;21.17,-40.58,;22.51,-39.81,;20.77,-42.06,;21.93,-41.91,;15.84,-42.12,;14.51,-42.89,)|
Show InChI InChI=1S/C22H28N4O4S/c1-13-20(25-21(22(23)28)14(2)24-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)26-31(3,29)30/h8-11,15-16H,4-7,12H2,1-3H3,(H2,23,28)(H,26,27)/t15-,16-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in mouse liver microsomes


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399691
PNG
(CHEMBL2178937)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(=O)NC(C)(C)C(O)=O)CC1 |r,wU:17.18,wD:20.22,(37.91,-37.31,;39.25,-36.54,;40.59,-37.31,;41.92,-36.54,;43.25,-37.3,;41.92,-35,;40.58,-34.23,;39.25,-35,;37.92,-34.22,;36.58,-34.99,;37.92,-32.69,;43.25,-34.23,;44.58,-35,;45.92,-34.23,;45.91,-32.68,;44.58,-31.92,;43.25,-32.69,;47.25,-31.91,;47.24,-30.37,;48.58,-29.6,;49.91,-30.37,;51.25,-29.6,;52.58,-30.37,;52.58,-31.91,;53.91,-29.6,;55.25,-30.37,;54.47,-31.7,;56.01,-31.7,;56.58,-29.6,;57.91,-30.37,;56.58,-28.06,;49.91,-31.91,;48.58,-32.68,)|
Show InChI InChI=1S/C25H32N4O4/c1-14-21(28-22(23(26)31)15(2)27-14)19-11-9-18(10-12-19)17-7-5-16(6-8-17)13-20(30)29-25(3,4)24(32)33/h9-12,16-17H,5-8,13H2,1-4H3,(H2,26,31)(H,29,30)(H,32,33)/t16-,17-
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399707
PNG
(CHEMBL2178384)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=S |r,wU:13.14,wD:16.18,(45.97,-43.39,;44.63,-42.63,;43.3,-43.4,;41.96,-42.63,;41.96,-41.09,;43.3,-40.32,;44.63,-41.09,;45.96,-40.32,;47.3,-41.09,;48.63,-40.32,;48.63,-38.77,;47.29,-38.01,;45.96,-38.78,;49.96,-38,;49.95,-36.46,;51.29,-35.69,;52.63,-36.46,;53.96,-35.69,;55.29,-36.46,;56.63,-35.69,;55.29,-38,;52.62,-38,;51.3,-38.77,;40.63,-40.31,;39.3,-41.08,;40.63,-38.77,)|
Show InChI InChI=1S/C20H23N3O2S/c1-12-19(23-17(11-22-12)20(21)26)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-18(24)25/h6-9,11,13-14H,2-5,10H2,1H3,(H2,21,26)(H,24,25)/t13-,14-
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM27953
PNG
(2-[3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(CC(O)=O)(C3)C1)C2 |c:12,TLB:30:21:32:31.25.24,30:25:32:20.21.22,26:25:20:32.22.23,THB:24:25:20:32.22.23,24:23:20:31.30.25|
Show InChI InChI=1S/C26H30N4O3/c1-24(2)21(30-20-22(27)28-14-29-23(20)33-24)17-3-5-18(6-4-17)26-10-15-7-16(11-26)9-25(8-15,13-26)12-19(31)32/h3-6,14-16H,7-13H2,1-2H3,(H,31,32)(H2,27,28,29)
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n/an/a 120n/an/an/an/a7.422



AstraZeneca



Assay Description
The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...


J Med Chem 52: 1558-68 (2009)


Article DOI: 10.1021/jm801507v
BindingDB Entry DOI: 10.7270/Q2N014VR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399683
PNG
(CHEMBL2178945)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@@H]2CC[C@H](CC(O)=O)CC2)c(F)c1 |r,wU:15.15,18.19,(58.03,-11.07,;59.36,-10.3,;60.7,-11.07,;62.03,-10.3,;63.37,-11.06,;62.03,-8.76,;60.7,-7.99,;59.36,-8.75,;58.03,-7.98,;56.69,-8.75,;58.03,-6.44,;63.36,-7.99,;63.36,-6.45,;64.69,-5.68,;66.03,-6.44,;67.36,-5.67,;68.7,-6.44,;70.02,-5.67,;70.02,-4.13,;71.36,-3.36,;72.69,-4.13,;74.03,-3.36,;72.69,-5.67,;68.69,-3.36,;67.35,-4.13,;66.03,-7.99,;67.37,-8.76,;64.69,-8.76,)|
Show InChI InChI=1S/C21H24FN3O3/c1-11-19(25-20(21(23)28)12(2)24-11)15-7-8-16(17(22)10-15)14-5-3-13(4-6-14)9-18(26)27/h7-8,10,13-14H,3-6,9H2,1-2H3,(H2,23,28)(H,26,27)/t13-,14+
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399687
PNG
(CHEMBL2178941)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CCC(O)=O)CC1 |r,wU:17.18,wD:20.22,(43.96,-49.43,;45.3,-48.66,;46.64,-49.43,;47.97,-48.65,;49.3,-49.42,;47.97,-47.12,;46.63,-46.35,;45.3,-47.11,;43.97,-46.34,;42.63,-47.11,;43.97,-44.8,;49.3,-46.35,;50.63,-47.12,;51.97,-46.35,;51.96,-44.8,;50.63,-44.04,;49.3,-44.81,;53.3,-44.03,;53.29,-42.49,;54.63,-41.72,;55.96,-42.49,;57.3,-41.72,;58.63,-42.49,;59.96,-41.72,;61.3,-42.49,;59.96,-40.18,;55.96,-44.03,;54.63,-44.8,)|
Show InChI InChI=1S/C22H27N3O3/c1-13-20(25-21(22(23)28)14(2)24-13)18-10-8-17(9-11-18)16-6-3-15(4-7-16)5-12-19(26)27/h8-11,15-16H,3-7,12H2,1-2H3,(H2,23,28)(H,26,27)/t15-,16-
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399677
PNG
(CHEMBL2178370)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@@H](CC2)c2nnn[nH]2)c1 |r,wD:18.18,21.26,(4.06,-36.56,;5.39,-35.79,;6.73,-36.56,;8.06,-35.79,;9.4,-36.56,;8.06,-34.26,;6.73,-33.48,;5.39,-34.25,;4.06,-33.48,;2.73,-34.25,;4.06,-31.94,;9.39,-33.49,;9.39,-31.94,;10.72,-31.17,;12.06,-31.94,;12.07,-33.48,;13.54,-33.95,;14.44,-32.69,;13.52,-31.45,;12.42,-30.37,;12.82,-28.88,;14.3,-28.47,;15.39,-29.56,;15,-31.04,;14.7,-26.99,;13.72,-25.79,;14.55,-24.5,;16.04,-24.89,;16.13,-26.43,;10.72,-34.26,)|
Show InChI InChI=1S/C22H25N7O/c1-12-18(25-19(20(23)30)13(2)24-12)16-3-4-17-15(11-16)7-10-22(17)8-5-14(6-9-22)21-26-28-29-27-21/h3-4,11,14H,5-10H2,1-2H3,(H2,23,30)(H,26,27,28,29)/t14-,22-
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385409
PNG
(CHEMBL2036580)
Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H15FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,26)
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385400
PNG
(CHEMBL2036571)
Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C18H17FN6O3/c19-13-3-1-2-4-14(13)22-18-24-23-17(28-18)16(26)21-12-5-6-15(20-11-12)25-7-9-27-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24)
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n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385417
PNG
(CHEMBL2036588)
Show SMILES Fc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1
Show InChI InChI=1S/C18H17FN6O3/c19-12-2-1-3-13(10-12)22-18-24-23-17(28-18)16(26)21-14-4-5-15(20-11-14)25-6-8-27-9-7-25/h1-5,10-11H,6-9H2,(H,21,26)(H,22,24)
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n/an/a 150n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
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