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PubMed code 23810496

Compile data set for download or QSAR
Found 31 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))
BDBM50437758
PNG
(CHEMBL2409565)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3cn(nc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H28F3N5O3/c33-32(34,35)29-25(18-40(39-29)24-4-2-1-3-5-24)31(43)36-23-14-15-26-27(17-23)38-30(37-26)22-12-10-21(11-13-22)20-8-6-19(7-9-20)16-28(41)42/h1-5,10-15,17-20H,6-9,16H2,(H,36,43)(H,37,38)(H,41,42)
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n/an/a 49n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50355142
PNG
(CHEMBL1835919)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
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n/an/a 88n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in mouse liver microsomes using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation cou...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50355142
PNG
(CHEMBL1835919)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
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n/an/a 90n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437757
PNG
(CHEMBL2409563)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3noc(n3)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C30H27N5O4/c36-26(37)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27-32-24-15-14-23(17-25(24)33-27)31-29(38)28-34-30(39-35-28)22-4-2-1-3-5-22/h1-5,10-15,17-19H,6-9,16H2,(H,31,38)(H,32,33)(H,36,37)
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n/an/a 90n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/a 112n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50437754
PNG
(CHEMBL2409663)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C33H26F6N4O4/c34-32(35,36)23-4-2-1-3-22(23)31-43-27(28(47-31)33(37,38)39)30(46)40-21-13-14-24-25(16-21)42-29(41-24)20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-26(44)45/h1-4,9-14,16-18H,5-8,15H2,(H,40,46)(H,41,42)(H,44,45)
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n/an/a 201n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in mouse liver microsomes using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation cou...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50437755
PNG
(CHEMBL2409568)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C32H26ClF3N4O4/c33-23-4-2-1-3-22(23)31-40-27(28(44-31)32(34,35)36)30(43)37-21-13-14-24-25(16-21)39-29(38-24)20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-26(41)42/h1-4,9-14,16-18H,5-8,15H2,(H,37,43)(H,38,39)(H,41,42)
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n/an/a 277n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in mouse liver microsomes using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation cou...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437756
PNG
(CHEMBL2409560)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C34H31N3O3/c38-32(39)20-22-6-8-24(9-7-22)26-10-14-27(15-11-26)33-36-30-19-18-29(21-31(30)37-33)35-34(40)28-16-12-25(13-17-28)23-4-2-1-3-5-23/h1-5,10-19,21-22,24H,6-9,20H2,(H,35,40)(H,36,37)(H,38,39)
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n/an/a 330n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/a 568n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in mouse liver microsomes using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation cou...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437742
PNG
(CHEMBL2409556)
Show SMILES CCOC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C23H25N3O4/c1-2-30-22(27)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-24-20-12-11-19(26(28)29)14-21(20)25-23/h7-12,14-16H,2-6,13H2,1H3,(H,24,25)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437755
PNG
(CHEMBL2409568)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C32H26ClF3N4O4/c33-23-4-2-1-3-22(23)31-40-27(28(44-31)32(34,35)36)30(43)37-21-13-14-24-25(16-21)39-29(38-24)20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-26(41)42/h1-4,9-14,16-18H,5-8,15H2,(H,37,43)(H,38,39)(H,41,42)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437754
PNG
(CHEMBL2409663)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C33H26F6N4O4/c34-32(35,36)23-4-2-1-3-22(23)31-43-27(28(47-31)33(37,38)39)30(46)40-21-13-14-24-25(16-21)42-29(41-24)20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-26(44)45/h1-4,9-14,16-18H,5-8,15H2,(H,40,46)(H,41,42)(H,44,45)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437748
PNG
(CHEMBL2409558)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1
Show InChI InChI=1S/C26H25N3O3S/c30-24(31)14-16-3-5-17(6-4-16)18-7-9-19(10-8-18)25-28-21-12-11-20(15-22(21)29-25)27-26(32)23-2-1-13-33-23/h1-2,7-13,15-17H,3-6,14H2,(H,27,32)(H,28,29)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437751
PNG
(CHEMBL2409665)
Show SMILES NC(=S)Nc1ccc2nc([nH]c2c1)-c1ccc(cc1)C1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C22H24N4O2S/c23-22(29)24-17-9-10-18-19(12-17)26-21(25-18)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(27)28/h5-10,12-14H,1-4,11H2,(H,25,26)(H,27,28)(H3,23,24,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437749
PNG
(CHEMBL2409557)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C28H27N3O3/c32-26(33)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27-30-24-15-14-23(17-25(24)31-27)29-28(34)22-4-2-1-3-5-22/h1-5,10-15,17-19H,6-9,16H2,(H,29,34)(H,30,31)(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437747
PNG
(CHEMBL2409559)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3ccco3)cc2[nH]1
Show InChI InChI=1S/C26H25N3O4/c30-24(31)14-16-3-5-17(6-4-16)18-7-9-19(10-8-18)25-28-21-12-11-20(15-22(21)29-25)27-26(32)23-2-1-13-33-23/h1-2,7-13,15-17H,3-6,14H2,(H,27,32)(H,28,29)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437745
PNG
(CHEMBL2409562)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2[nH]1
Show InChI InChI=1S/C30H27N3O4/c34-28(35)15-18-5-7-19(8-6-18)20-9-11-21(12-10-20)29-32-24-14-13-23(17-25(24)33-29)31-30(36)27-16-22-3-1-2-4-26(22)37-27/h1-4,9-14,16-19H,5-8,15H2,(H,31,36)(H,32,33)(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437746
PNG
(CHEMBL2409561)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3cc4ccccc4s3)cc2[nH]1
Show InChI InChI=1S/C30H27N3O3S/c34-28(35)15-18-5-7-19(8-6-18)20-9-11-21(12-10-20)29-32-24-14-13-23(17-25(24)33-29)31-30(36)27-16-22-3-1-2-4-26(22)37-27/h1-4,9-14,16-19H,5-8,15H2,(H,31,36)(H,32,33)(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437743
PNG
(CHEMBL2409567)
Show SMILES Cc1nc(C(=O)Nc2ccc3nc([nH]c3c2)-c2ccc(cc2)C2CCC(CC(O)=O)CC2)c(o1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O4/c1-14-31-23(24(38-14)27(28,29)30)26(37)32-19-10-11-20-21(13-19)34-25(33-20)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-22(35)36/h6-11,13,15-16H,2-5,12H2,1H3,(H,32,37)(H,33,34)(H,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437752
PNG
(CHEMBL2409664)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)Nc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C28H28N4O3/c33-26(34)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27-31-24-15-14-23(17-25(24)32-27)30-28(35)29-22-4-2-1-3-5-22/h1-5,10-15,17-19H,6-9,16H2,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437750
PNG
(CHEMBL2409666)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=S)Nc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C28H28N4O2S/c33-26(34)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27-31-24-15-14-23(17-25(24)32-27)30-28(35)29-22-4-2-1-3-5-22/h1-5,10-15,17-19H,6-9,16H2,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437744
PNG
(CHEMBL2409566)
Show SMILES Cc1oc(nc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(cc1)C1CCC(CC(O)=O)CC1)-c1ccccc1
Show InChI InChI=1S/C32H30N4O4/c1-19-29(36-32(40-19)24-5-3-2-4-6-24)31(39)33-25-15-16-26-27(18-25)35-30(34-26)23-13-11-22(12-14-23)21-9-7-20(8-10-21)17-28(37)38/h2-6,11-16,18,20-21H,7-10,17H2,1H3,(H,33,39)(H,34,35)(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-2 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]oleoyl-CoA as substrate after 120 mins by li...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/a>6.93E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Induction of CYP2B6 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Induction of CYP2E1 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Induction of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50437753
PNG
(CHEMBL2409564)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Induction of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%