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PubMed code 22001092

Compile data set for download or QSAR
Found 37 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 (DGAT1)


(Homo sapiens (Human))
BDBM50341760
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358323
PNG
(CHEMBL1922582)
Show SMILES CCCn1[nH]c(=O)c2cc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)ccc12
Show InChI InChI=1S/C21H17F3N4O3/c1-2-10-28-15-9-8-13(11-14(15)18(29)27-28)25-19(30)16-17(21(22,23)24)31-20(26-16)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,25,30)(H,27,29)
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n/an/a 60n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358330
PNG
(CHEMBL1922679)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1cnc(s1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C18H15F3N4O3S/c19-18(20,21)14-13(24-16(28-14)11-4-2-1-3-5-11)15(26)23-12-10-22-17(29-12)25-6-8-27-9-7-25/h1-5,10H,6-9H2,(H,23,26)
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n/an/a 100n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacyl Glycerolacyltransferase 1 (DGAT-1)


(Rattus norvegicus (rat))
BDBM50341760
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
KEGG

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n/an/a 120n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of rat DGAT1


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358333
PNG
(CHEMBL1922682)
Show SMILES FC(F)(F)c1oc(cc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)19-16(12-17(30-19)14-4-2-1-3-5-14)20(28)26-15-6-7-18(25-13-15)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,26,28)
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n/an/a 140n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358335
PNG
(CHEMBL1922684)
Show SMILES Cc1nc(oc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358328
PNG
(CHEMBL1922677)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)17-16(26-19(30-17)13-4-2-1-3-5-13)18(28)25-14-6-7-15(24-12-14)27-8-10-29-11-9-27/h1-7,12H,8-11H2,(H,25,28)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358337
PNG
(CHEMBL1922686)
Show SMILES CCN(CC)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O2/c1-3-27(4-2)15-11-10-14(12-24-15)25-18(28)16-17(20(21,22)23)29-19(26-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,25,28)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358327
PNG
(CHEMBL1922676)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(cc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)18-17(26-20(30-18)14-4-2-1-3-5-14)19(28)25-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,25,28)
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n/an/a 330n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358329
PNG
(CHEMBL1922678)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1cnc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C19H16F3N5O3/c20-19(21,22)15-14(26-17(30-15)12-4-2-1-3-5-12)16(28)25-13-10-23-18(24-11-13)27-6-8-29-9-7-27/h1-5,10-11H,6-9H2,(H,25,28)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358338
PNG
(CHEMBL1922687)
Show SMILES COCCNc1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C19H17F3N4O3/c1-28-10-9-23-14-8-7-13(11-24-14)25-17(27)15-16(19(20,21)22)29-18(26-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,23,24)(H,25,27)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358339
PNG
(CHEMBL1922688)
Show SMILES CN(CCO)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C19H17F3N4O3/c1-26(9-10-27)14-8-7-13(11-23-14)24-17(28)15-16(19(20,21)22)29-18(25-15)12-5-3-2-4-6-12/h2-8,11,27H,9-10H2,1H3,(H,24,28)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358331
PNG
(CHEMBL1922680)
Show SMILES Clc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358340
PNG
(CHEMBL1922689)
Show SMILES CCN(CCOC)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C21H21F3N4O3/c1-3-28(11-12-30-2)16-10-9-15(13-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,26,29)
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n/an/a 653n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358334
PNG
(CHEMBL1922683)
Show SMILES Cc1nc(sc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N4O2S/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358341
PNG
(CHEMBL1922690)
Show SMILES COCC(=O)N(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H17F3N4O4/c1-27(15(28)11-30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29)
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n/an/a 699n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358332
PNG
(CHEMBL1922681)
Show SMILES CCc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O3/c1-2-17-19(24-21(28-17)15-6-4-3-5-7-15)20(26)23-16-8-9-18(22-14-16)25-10-12-27-13-11-25/h3-9,14H,2,10-13H2,1H3,(H,23,26)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358325
PNG
(CHEMBL1922587)
Show SMILES CC(C)Oc1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C20H17F3N2O3/c1-12(2)27-15-10-8-14(9-11-15)24-18(26)16-17(20(21,22)23)28-19(25-16)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,26)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358324
PNG
(CHEMBL1922585)
Show SMILES CC(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C20H17F3N2O2/c1-12(2)13-8-10-15(11-9-13)24-18(26)16-17(20(21,22)23)27-19(25-16)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,24,26)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358326
PNG
(CHEMBL1922589)
Show SMILES CCCc1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C20H17F3N2O2/c1-2-6-13-9-11-15(12-10-13)24-18(26)16-17(20(21,22)23)27-19(25-16)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3,(H,24,26)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358336
PNG
(CHEMBL1922685)
Show SMILES Cc1nc(ncc1C(=O)Nc1ccc(cc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c1-16-20(15-23-21(24-16)17-5-3-2-4-6-17)22(27)25-18-7-9-19(10-8-18)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,25,27)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358327
PNG
(CHEMBL1922676)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(cc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)18-17(26-20(30-18)14-4-2-1-3-5-14)19(28)25-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,25,28)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358340
PNG
(CHEMBL1922689)
Show SMILES CCN(CCOC)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C21H21F3N4O3/c1-3-28(11-12-30-2)16-10-9-15(13-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,26,29)
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n/an/an/an/a 8.90E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358335
PNG
(CHEMBL1922684)
Show SMILES Cc1nc(oc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
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n/an/an/an/a 7.46E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358329
PNG
(CHEMBL1922678)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1cnc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C19H16F3N5O3/c20-19(21,22)15-14(26-17(30-15)12-4-2-1-3-5-12)16(28)25-13-10-23-18(24-11-13)27-6-8-29-9-7-27/h1-5,10-11H,6-9H2,(H,25,28)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358331
PNG
(CHEMBL1922680)
Show SMILES Clc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
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n/an/an/an/a 2.99E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341760
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
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n/an/an/an/a 660n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358339
PNG
(CHEMBL1922688)
Show SMILES CN(CCO)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C19H17F3N4O3/c1-26(9-10-27)14-8-7-13(11-23-14)24-17(28)15-16(19(20,21)22)29-18(25-15)12-5-3-2-4-6-12/h2-8,11,27H,9-10H2,1H3,(H,24,28)
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n/an/an/an/a 8.09E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358338
PNG
(CHEMBL1922687)
Show SMILES COCCNc1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C19H17F3N4O3/c1-28-10-9-23-14-8-7-13(11-24-14)25-17(27)15-16(19(20,21)22)29-18(26-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,23,24)(H,25,27)
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n/an/an/an/a 1.11E+4n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358337
PNG
(CHEMBL1922686)
Show SMILES CCN(CC)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O2/c1-3-27(4-2)15-11-10-14(12-24-15)25-18(28)16-17(20(21,22)23)29-19(26-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,25,28)
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n/an/an/an/a 910n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358334
PNG
(CHEMBL1922683)
Show SMILES Cc1nc(sc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N4O2S/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
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n/an/an/an/a 1.18E+4n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358323
PNG
(CHEMBL1922582)
Show SMILES CCCn1[nH]c(=O)c2cc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)ccc12
Show InChI InChI=1S/C21H17F3N4O3/c1-2-10-28-15-9-8-13(11-14(15)18(29)27-28)25-19(30)16-17(21(22,23)24)31-20(26-16)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,25,30)(H,27,29)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358333
PNG
(CHEMBL1922682)
Show SMILES FC(F)(F)c1oc(cc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)19-16(12-17(30-19)14-4-2-1-3-5-14)20(28)26-15-6-7-18(25-13-15)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,26,28)
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n/an/an/an/a 490n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358332
PNG
(CHEMBL1922681)
Show SMILES CCc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O3/c1-2-17-19(24-21(28-17)15-6-4-3-5-7-15)20(26)23-16-8-9-18(22-14-16)25-10-12-27-13-11-25/h3-9,14H,2,10-13H2,1H3,(H,23,26)
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n/an/an/an/a 3.42E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358330
PNG
(CHEMBL1922679)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1cnc(s1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C18H15F3N4O3S/c19-18(20,21)14-13(24-16(28-14)11-4-2-1-3-5-11)15(26)23-12-10-22-17(29-12)25-6-8-27-9-7-25/h1-5,10H,6-9H2,(H,23,26)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358328
PNG
(CHEMBL1922677)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)17-16(26-19(30-17)13-4-2-1-3-5-13)18(28)25-14-6-7-15(24-12-14)27-8-10-29-11-9-27/h1-7,12H,8-11H2,(H,25,28)
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n/an/an/an/a 840n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358341
PNG
(CHEMBL1922690)
Show SMILES COCC(=O)N(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H17F3N4O4/c1-27(15(28)11-30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%