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PubMed code 24618302

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009445
PNG
(CHEMBL3233889)
Show SMILES Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C36H40N2O3/c1-25-22-33(36(41)37-21-7-3-6-10-26-8-4-2-5-9-26)32-20-19-31(24-34(32)38-25)30-17-15-29(16-18-30)28-13-11-27(12-14-28)23-35(39)40/h2,4-5,8-9,15-20,22,24,27-28H,3,6-7,10-14,21,23H2,1H3,(H,37,41)(H,39,40)/t27-,28-
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009439
PNG
(CHEMBL3233885)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(cccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-28-26(20-25)5-4-8-29(28)31(35)32-27-6-2-1-3-7-27/h1-8,13-18,20-22H,9-12,19H2,(H,32,35)(H,33,34)/t21-,22-
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009444
PNG
(CHEMBL3233888)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22-
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009439
PNG
(CHEMBL3233885)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(cccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-28-26(20-25)5-4-8-29(28)31(35)32-27-6-2-1-3-7-27/h1-8,13-18,20-22H,9-12,19H2,(H,32,35)(H,33,34)/t21-,22-
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009445
PNG
(CHEMBL3233889)
Show SMILES Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C36H40N2O3/c1-25-22-33(36(41)37-21-7-3-6-10-26-8-4-2-5-9-26)32-20-19-31(24-34(32)38-25)30-17-15-29(16-18-30)28-13-11-27(12-14-28)23-35(39)40/h2,4-5,8-9,15-20,22,24,27-28H,3,6-7,10-14,21,23H2,1H3,(H,37,41)(H,39,40)/t27-,28-
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009443
PNG
(CHEMBL3233887)
Show SMILES CC(C)c1cccc(NC(=O)c2ccnc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)c1
Show InChI InChI=1S/C33H34N2O3/c1-21(2)26-4-3-5-28(19-26)35-33(38)30-16-17-34-31-20-27(14-15-29(30)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-32(36)37/h3-5,10-17,19-23H,6-9,18H2,1-2H3,(H,35,38)(H,36,37)/t22-,23-
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009441
PNG
(CHEMBL3233886)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21-
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009446
PNG
(CHEMBL3233891)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C27H25N3O5/c1-17-13-22(25(31)29-20-7-5-4-6-8-20)21-11-9-18(14-23(21)28-17)19-10-12-24(30(34)15-19)35-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,29,31)(H,32,33)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009444
PNG
(CHEMBL3233888)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22-
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009390
PNG
(CHEMBL3233871)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(F)c1
Show InChI InChI=1S/C27H22F4N2O5/c28-22-14-17(15-4-6-16(7-5-15)24(34)20-2-1-3-21(20)25(35)36)8-13-23(22)33-26(37)32-18-9-11-19(12-10-18)38-27(29,30)31/h4-14,20-21H,1-3H2,(H,35,36)(H2,32,33,37)/t20-,21-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
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
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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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009391
PNG
(CHEMBL3233872)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-17,19-21H,6-9,18H2,(H,30,34)(H,32,33)/t20-,21-
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009432
PNG
(CHEMBL3233884)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009441
PNG
(CHEMBL3233886)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009416
PNG
(CHEMBL3233883)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H30N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009443
PNG
(CHEMBL3233887)
Show SMILES CC(C)c1cccc(NC(=O)c2ccnc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)c1
Show InChI InChI=1S/C33H34N2O3/c1-21(2)26-4-3-5-28(19-26)35-33(38)30-16-17-34-31-20-27(14-15-29(30)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-32(36)37/h3-5,10-17,19-23H,6-9,18H2,1-2H3,(H,35,38)(H,36,37)/t22-,23-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009432
PNG
(CHEMBL3233884)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009416
PNG
(CHEMBL3233883)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H30N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM113723
PNG
(US8637507, B-17)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009398
PNG
(CHEMBL3233879)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCCc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H32N2O3/c33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27/h1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34)/t21-,22-
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009446
PNG
(CHEMBL3233891)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C27H25N3O5/c1-17-13-22(25(31)29-20-7-5-4-6-8-20)21-11-9-18(14-23(21)28-17)19-10-12-24(30(34)15-19)35-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,29,31)(H,32,33)
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n/an/a 122n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009398
PNG
(CHEMBL3233879)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCCc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H32N2O3/c33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27/h1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34)/t21-,22-
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009397
PNG
(CHEMBL3233878)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-25-26(18-30-27(25)17-23)29(34)31-24-4-2-1-3-5-24/h1-5,10-15,17-20,30H,6-9,16H2,(H,31,34)(H,32,33)/t19-,20-
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM113723
PNG
(US8637507, B-17)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 275n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009397
PNG
(CHEMBL3233878)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-25-26(18-30-27(25)17-23)29(34)31-24-4-2-1-3-5-24/h1-5,10-15,17-20,30H,6-9,16H2,(H,31,34)(H,32,33)/t19-,20-
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n/an/a 284n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009396
PNG
(CHEMBL3233877)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24-18-27(31-26(24)17-23)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20,31H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20-
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n/an/a 448n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009396
PNG
(CHEMBL3233877)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24-18-27(31-26(24)17-23)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20,31H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20-
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n/an/a 1.09E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50009444
PNG
(CHEMBL3233888)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM113723
PNG
(US8637507, B-17)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009399
PNG
(CHEMBL3233880)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCC(=O)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H30N2O4/c33-28-16-17-32(30(36)31-25-4-2-1-3-5-25)27-15-14-24(19-26(27)28)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-29(34)35/h1-5,10-15,19-21H,6-9,16-18H2,(H,31,36)(H,34,35)/t20-,21-
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n/an/a 1.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009394
PNG
(CHEMBL3233875)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc([nH]c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H27N3O3/c32-26(33)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-24-25(17-22)31-27(30-24)28(34)29-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,29,34)(H,30,31)(H,32,33)/t18-,19-
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n/an/a 2.03E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009392
PNG
(CHEMBL3233873)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2oc(Nc3ccccc3)nc2c1
Show InChI InChI=1S/C27H26N2O3/c30-26(31)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-25-24(17-22)29-27(32-25)28-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,28,29)(H,30,31)/t18-,19-
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n/an/a 2.39E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009395
PNG
(CHEMBL3233876)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ncc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H27N3O3/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-31(26)28(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20-
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n/an/a 2.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009395
PNG
(CHEMBL3233876)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ncc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H27N3O3/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-31(26)28(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20-
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n/an/a 2.74E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50009391
PNG
(CHEMBL3233872)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-17,19-21H,6-9,18H2,(H,30,34)(H,32,33)/t20-,21-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009392
PNG
(CHEMBL3233873)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2oc(Nc3ccccc3)nc2c1
Show InChI InChI=1S/C27H26N2O3/c30-26(31)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-25-24(17-22)29-27(32-25)28-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,28,29)(H,30,31)/t18-,19-
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n/an/a 3.85E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50009441
PNG
(CHEMBL3233886)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21-
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n/an/a 4.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009400
PNG
(CHEMBL3233881)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCNc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H31N3O3/c33-28(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-26(19-24)30-16-17-32(27)29(35)31-25-4-2-1-3-5-25/h1-5,10-15,19-21,30H,6-9,16-18H2,(H,31,35)(H,33,34)/t20-,21-
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n/an/a 4.82E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009394
PNG
(CHEMBL3233875)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc([nH]c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H27N3O3/c32-26(33)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-24-25(17-22)31-27(30-24)28(34)29-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,29,34)(H,30,31)(H,32,33)/t18-,19-
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009393
PNG
(CHEMBL3233874)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc(Nc3ccccc3)ncc2c1
Show InChI InChI=1S/C28H27N3O2/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-28(31-26)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,32,33)(H,29,30,31)/t19-,20-
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n/an/a 5.55E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009400
PNG
(CHEMBL3233881)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCNc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H31N3O3/c33-28(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-26(19-24)30-16-17-32(27)29(35)31-25-4-2-1-3-5-25/h1-5,10-15,19-21,30H,6-9,16-18H2,(H,31,35)(H,33,34)/t20-,21-
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n/an/a 7.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50009432
PNG
(CHEMBL3233884)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21-
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n/an/a 9.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009399
PNG
(CHEMBL3233880)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCC(=O)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H30N2O4/c33-28-16-17-32(30(36)31-25-4-2-1-3-5-25)27-15-14-24(19-26(27)28)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-29(34)35/h1-5,10-15,19-21H,6-9,16-18H2,(H,31,36)(H,34,35)/t20-,21-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009404
PNG
(CHEMBL3233882)
Show SMILES CN1CCN(C(=O)Nc2ccccc2)c2ccc(cc2C1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C31H35N3O3/c1-33-17-18-34(31(37)32-28-5-3-2-4-6-28)29-16-15-26(20-27(29)21-33)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-30(35)36/h2-6,11-16,20,22-23H,7-10,17-19,21H2,1H3,(H,32,37)(H,35,36)/t22-,23-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009393
PNG
(CHEMBL3233874)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc(Nc3ccccc3)ncc2c1
Show InChI InChI=1S/C28H27N3O2/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-28(31-26)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,32,33)(H,29,30,31)/t19-,20-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (human))
BDBM50009432
PNG
(CHEMBL3233884)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009404
PNG
(CHEMBL3233882)
Show SMILES CN1CCN(C(=O)Nc2ccccc2)c2ccc(cc2C1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C31H35N3O3/c1-33-17-18-34(31(37)32-28-5-3-2-4-6-28)29-16-15-26(20-27(29)21-33)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-30(35)36/h2-6,11-16,20,22-23H,7-10,17-19,21H2,1H3,(H,32,37)(H,35,36)/t22-,23-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50009446
PNG
(CHEMBL3233891)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C27H25N3O5/c1-17-13-22(25(31)29-20-7-5-4-6-8-20)21-11-9-18(14-23(21)28-17)19-10-12-24(30(34)15-19)35-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,29,31)(H,32,33)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (human))
BDBM50009391
PNG
(CHEMBL3233872)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-17,19-21H,6-9,18H2,(H,30,34)(H,32,33)/t20-,21-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%