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PubMed code 23116186

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1


(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
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


(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
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


(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
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


(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
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


(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
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


(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


(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
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


(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
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
Diacylglycerol O-acyltransferase 1 [148-636]


(Canis familiaris)
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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


(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
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


(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
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


(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


(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
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
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


(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
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


(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
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


(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
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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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


(Homo sapiens (Human))
BDBM50399707
PNG
(CHEMBL2178384)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=S
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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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


(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
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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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


(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
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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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


(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
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
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
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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n/an/a 150n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in rat 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


(Homo sapiens (Human))
BDBM50399680
PNG
(CHEMBL2178948)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@]22CC[C@@H](CC2)C(O)=O)c1
Show InChI InChI=1S/C22H25N3O3/c1-12-18(25-19(20(23)26)13(2)24-12)16-3-4-17-15(11-16)7-10-22(17)8-5-14(6-9-22)21(27)28/h3-4,11,14H,5-10H2,1-2H3,(H2,23,26)(H,27,28)/t14-,22+
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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


(Homo sapiens (Human))
BDBM50399716
PNG
(CHEMBL2178372)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2
Show InChI InChI=1S/C23H27N3O3/c1-14-19(26-20(21(24)29)15(2)25-14)16-3-5-17(6-4-16)23-10-7-22(8-11-23,9-12-23)13-18(27)28/h3-6H,7-13H2,1-2H3,(H2,24,29)(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


(Homo sapiens (Human))
BDBM50399679
PNG
(CHEMBL2178949)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@@H](CC2)C(O)=O)c1
Show InChI InChI=1S/C22H25N3O3/c1-12-18(25-19(20(23)26)13(2)24-12)16-3-4-17-15(11-16)7-10-22(17)8-5-14(6-9-22)21(27)28/h3-4,11,14H,5-10H2,1-2H3,(H2,23,26)(H,27,28)/t14-,22-
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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


(Homo sapiens (Human))
BDBM50399712
PNG
(CHEMBL2178951)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
Show InChI InChI=1S/C20H23N3O3/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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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


(Homo sapiens (Human))
BDBM50399703
PNG
(CHEMBL2178388)
Show SMILES Cc1nc(C(F)F)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
Show InChI InChI=1S/C21H23F2N3O3/c1-11-17(26-19(21(24)29)18(25-11)20(22)23)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-16(27)28/h6-9,12-13,20H,2-5,10H2,1H3,(H2,24,29)(H,27,28)/t12-,13-
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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


(Homo sapiens (Human))
BDBM50399684
PNG
(CHEMBL2178944)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@@H]1CC[C@H](CC(O)=O)CC1
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


(Homo sapiens (Human))
BDBM50399693
PNG
(CHEMBL2178935)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1
Show InChI InChI=1S/C21H26N4O2/c1-12-19(25-20(21(23)27)13(2)24-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(22)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,26)(H2,23,27)/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


(Homo sapiens (Human))
BDBM50399709
PNG
(CHEMBL2178954)
Show SMILES Cc1ncc(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C20H23N3O3/c1-12-19(20(21)26)23-17(11-22-12)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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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


(Homo sapiens (Human))
BDBM50399695
PNG
(CHEMBL2178933)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CCO)CC1
Show InChI InChI=1S/C21H27N3O2/c1-13-19(24-20(21(22)26)14(2)23-13)18-9-7-17(8-10-18)16-5-3-15(4-6-16)11-12-25/h7-10,15-16,25H,3-6,11-12H2,1-2H3,(H2,22,26)/t15-,16-
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n/an/a 690n/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


(Homo sapiens (Human))
BDBM50399713
PNG
(CHEMBL2178950)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O
Show InChI InChI=1S/C19H21N3O3/c1-11-17(22-16(10-21-11)18(20)23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)25/h2-3,6-7,10,13,15H,4-5,8-9H2,1H3,(H2,20,23)(H,24,25)/t13-,15-
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n/an/a 1.10E+3n/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


(Homo sapiens (Human))
BDBM50399690
PNG
(CHEMBL2178938)
Show SMILES CC(C)(NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cncc(n1)C(N)=O)C(O)=O
Show InChI InChI=1S/C23H28N4O4/c1-23(2,22(30)31)27-20(28)11-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-12-25-13-19(26-18)21(24)29/h7-10,12-15H,3-6,11H2,1-2H3,(H2,24,29)(H,27,28)(H,30,31)/t14-,15-
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n/an/a 1.10E+3n/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


(Homo sapiens (Human))
BDBM50399694
PNG
(CHEMBL2178934)
Show SMILES NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CCO)CC1
Show InChI InChI=1S/C19H23N3O2/c20-19(24)18-12-21-11-17(22-18)16-7-5-15(6-8-16)14-3-1-13(2-4-14)9-10-23/h5-8,11-14,23H,1-4,9-10H2,(H2,20,24)/t13-,14-
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n/an/a 1.20E+3n/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


(Homo sapiens (Human))
BDBM50399702
PNG
(CHEMBL2178389)
Show SMILES CCc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C22H27N3O3/c1-3-18-21(22(23)28)25-20(13(2)24-18)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-19(26)27/h8-11,14-15H,3-7,12H2,1-2H3,(H2,23,28)(H,26,27)/t14-,15-
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n/an/a 1.80E+3n/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


(Homo sapiens (Human))
BDBM50399711
PNG
(CHEMBL2178952)
Show SMILES NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C19H21N3O3/c20-19(25)17-11-21-10-16(22-17)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-18(23)24/h5-8,10-13H,1-4,9H2,(H2,20,25)(H,23,24)/t12-,13-
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n/an/a 1.90E+3n/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


(Homo sapiens (Human))
BDBM50399692
PNG
(CHEMBL2178936)
Show SMILES NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cncc(n1)C(N)=O
Show InChI InChI=1S/C19H22N4O2/c20-18(24)9-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-10-22-11-17(23-16)19(21)25/h5-8,10-13H,1-4,9H2,(H2,20,24)(H2,21,25)/t12-,13-
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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
Sterol O-acyltransferase 1


(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
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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n/an/a 2.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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
Fatty-acid amide hydrolase 1


(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
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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n/an/a 3.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FAAH


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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(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
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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n/an/a 5.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDE10A1 receptor


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


(Homo sapiens (Human))
BDBM50399698
PNG
(CHEMBL2178930)
Show SMILES CCc1nc(C)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
Show InChI InChI=1S/C22H27N3O3/c1-3-18-21(25-20(22(23)28)13(2)24-18)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-19(26)27/h8-11,14-15H,3-7,12H2,1-2H3,(H2,23,28)(H,26,27)/t14-,15-
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n/an/a>9.10E+3n/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


(Homo sapiens (Human))
BDBM50399701
PNG
(CHEMBL2178390)
Show SMILES CC(C)c1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-13(2)20-22(23(24)29)26-21(14(3)25-20)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)28/h8-11,13,15-16H,4-7,12H2,1-3H3,(H2,24,29)(H,27,28)/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
Sterol O-acyltransferase 2


(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
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 ACAT2 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


(Homo sapiens (Human))
BDBM50399700
PNG
(CHEMBL2178391)
Show SMILES Cc1nc(-c2ccccc2)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
Show InChI InChI=1S/C26H27N3O3/c1-16-23(29-25(26(27)32)24(28-16)20-5-3-2-4-6-20)21-13-11-19(12-14-21)18-9-7-17(8-10-18)15-22(30)31/h2-6,11-14,17-18H,7-10,15H2,1H3,(H2,27,32)(H,30,31)/t17-,18-
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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


(Homo sapiens (Human))
BDBM50399699
PNG
(CHEMBL2178392)
Show SMILES NC(=O)c1nc(cnc1N)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C19H22N4O3/c20-18-17(19(21)26)23-15(10-22-18)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-16(24)25/h5-8,10-12H,1-4,9H2,(H2,20,22)(H2,21,26)(H,24,25)/t11-,12-
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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


(Homo sapiens (Human))
BDBM50399696
PNG
(CHEMBL2178932)
Show SMILES Cc1nc(-c2ccccc2)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C26H27N3O3/c1-16-23(26(27)32)29-25(24(28-16)20-5-3-2-4-6-20)21-13-11-19(12-14-21)18-9-7-17(8-10-18)15-22(30)31/h2-6,11-14,17-18H,7-10,15H2,1H3,(H2,27,32)(H,30,31)/t17-,18-
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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


(Homo sapiens (Human))
BDBM50399697
PNG
(CHEMBL2178931)
Show SMILES CC(C)c1nc(C)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
Show InChI InChI=1S/C23H29N3O3/c1-13(2)20-22(26-21(23(24)29)14(3)25-20)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)28/h8-11,13,15-16H,4-7,12H2,1-3H3,(H2,24,29)(H,27,28)/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
Sterol O-acyltransferase 1


(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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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399707
PNG
(CHEMBL2178384)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=S
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 1.60E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399693
PNG
(CHEMBL2178935)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1
Show InChI InChI=1S/C21H26N4O2/c1-12-19(25-20(21(23)27)13(2)24-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(22)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,26)(H2,23,27)/t14-,15-
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n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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


(Homo sapiens (Human))
BDBM50399705
PNG
(CHEMBL2178386)
Show SMILES NC(=O)c1cccc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C20H22N2O3/c21-20(25)18-3-1-2-17(22-18)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-19(23)24/h1-3,8-11,13-14H,4-7,12H2,(H2,21,25)(H,23,24)/t13-,14-
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n/an/a 2.80E+4n/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
Cytochrome P450 1A2


(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
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 CYP1A2


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
Cytochrome P450 3A4


(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
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 CYP3A4


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
Cytochrome P450 2C19


(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
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 CYP2C19


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
Cytochrome P450 2C9


(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
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 CYP2C9


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
Cytochrome P450 2D6


(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
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 CYP2D6


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
Potassium voltage-gated channel subfamily H member 2


(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
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 ERG


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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399712
PNG
(CHEMBL2178951)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
Show InChI InChI=1S/C20H23N3O3/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>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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


(Homo sapiens (Human))
BDBM50399708
PNG
(CHEMBL2178382)
Show SMILES NC(=N)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C19H22N4O2/c20-19(21)17-11-22-10-16(23-17)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-18(24)25/h5-8,10-13H,1-4,9H2,(H3,20,21)(H,24,25)/t12-,13-
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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
Sterol O-acyltransferase 1


(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
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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n/an/a 3.40E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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


(Homo sapiens (Human))
BDBM50399704
PNG
(CHEMBL2178387)
Show SMILES Cc1ccc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
Show InChI InChI=1S/C21H24N2O3/c1-13-2-11-18(21(22)26)23-20(13)17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(24)25/h2,7-11,14-15H,3-6,12H2,1H3,(H2,22,26)(H,24,25)/t14-,15-
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n/an/a 4.10E+4n/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
Sterol O-acyltransferase 1


(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
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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n/an/a 4.40E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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


(Homo sapiens (Human))
BDBM50399706
PNG
(CHEMBL2178385)
Show SMILES NC(=O)c1cncc(c1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C20H22N2O3/c21-20(25)18-10-17(11-22-12-18)16-7-5-15(6-8-16)14-3-1-13(2-4-14)9-19(23)24/h5-8,10-14H,1-4,9H2,(H2,21,25)(H,23,24)/t13-,14-
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n/an/a 6.00E+4n/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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399695
PNG
(CHEMBL2178933)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CCO)CC1
Show InChI InChI=1S/C21H27N3O2/c1-13-19(24-20(21(22)26)14(2)23-13)18-9-7-17(8-10-18)16-5-3-15(4-6-16)11-12-25/h7-10,15-16,25H,3-6,11-12H2,1-2H3,(H2,22,26)/t15-,16-
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n/an/a 7.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399713
PNG
(CHEMBL2178950)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O
Show InChI InChI=1S/C19H21N3O3/c1-11-17(22-16(10-21-11)18(20)23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)25/h2-3,6-7,10,13,15H,4-5,8-9H2,1H3,(H2,20,23)(H,24,25)/t13-,15-
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n/an/a 7.90E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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
Muscarinic acetylcholine receptor M2


(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
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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n/an/a 8.05E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M2 receptor


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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399711
PNG
(CHEMBL2178952)
Show SMILES NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C19H21N3O3/c20-19(25)17-11-21-10-16(22-17)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-18(23)24/h5-8,10-13H,1-4,9H2,(H2,20,25)(H,23,24)/t12-,13-
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 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 2


(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
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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n/an/a>3.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 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
* indicates data uncertainty>20%