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PubMed code 23317570

Compile data set for download or QSAR
Found 42 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))		BDBM50429030
PNG
(CHEMBL2334097)
Show SMILES Cc1c(oc2c(C)c(C)ccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C28H28FN5O3/c1-17-8-10-21-19(3)26(37-25(21)18(17)2)27(35)31-20-9-11-24(30-16-20)33-12-14-34(15-13-33)28(36)32-23-7-5-4-6-22(23)29/h4-11,16H,12-15H2,1-3H3,(H,31,35)(H,32,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429039
PNG
(CHEMBL2334088)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C26H24FN5O3/c1-17-19-6-2-5-9-22(19)35-24(17)25(33)29-18-10-11-23(28-16-18)31-12-14-32(15-13-31)26(34)30-21-8-4-3-7-20(21)27/h2-11,16H,12-15H2,1H3,(H,29,33)(H,30,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429008
PNG
(CHEMBL2334082)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
Show InChI InChI=1S/C31H29N3O5/c35-30(23-6-4-11-28(18-23)39-26-8-2-1-3-9-26)33-25-12-13-29(32-20-25)34-16-14-22(15-17-34)21-38-27-10-5-7-24(19-27)31(36)37/h1-13,18-20,22H,14-17,21H2,(H,33,35)(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429019
PNG
(CHEMBL2334075)
Show SMILES Cc1c(sc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C34H31N3O4S/c1-22-29-19-25(24-6-3-2-4-7-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-23(15-17-37)21-41-28-9-5-8-26(18-28)34(39)40/h2-13,18-20,23H,14-17,21H2,1H3,(H,36,38)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429034
PNG
(CHEMBL2334093)
Show SMILES Cc1c(oc2ccc(F)cc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C26H23F2N5O3/c1-16-19-14-17(27)6-8-22(19)36-24(16)25(34)30-18-7-9-23(29-15-18)32-10-12-33(13-11-32)26(35)31-21-5-3-2-4-20(21)28/h2-9,14-15H,10-13H2,1H3,(H,30,34)(H,31,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429035
PNG
(CHEMBL2334092)
Show SMILES FC(F)c1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C26H22F3N5O3/c27-18-6-2-3-7-19(18)32-26(36)34-13-11-33(12-14-34)21-10-9-16(15-30-21)31-25(35)23-22(24(28)29)17-5-1-4-8-20(17)37-23/h1-10,15,24H,11-14H2,(H,31,35)(H,32,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429010
PNG
(CHEMBL2334085)
Show SMILES CCCCOc1cccc(c1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C29H33N3O5/c1-2-3-16-36-25-8-4-6-22(17-25)28(33)31-24-10-11-27(30-19-24)32-14-12-21(13-15-32)20-37-26-9-5-7-23(18-26)29(34)35/h4-11,17-19,21H,2-3,12-16,20H2,1H3,(H,31,33)(H,34,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429032
PNG
(CHEMBL2334095)
Show SMILES Cc1c(oc2ccc(C)cc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C27H26FN5O3/c1-17-7-9-23-20(15-17)18(2)25(36-23)26(34)30-19-8-10-24(29-16-19)32-11-13-33(14-12-32)27(35)31-22-6-4-3-5-21(22)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)(H,31,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429033
PNG
(CHEMBL2334094)
Show SMILES COc1ccc2oc(C(=O)Nc3ccc(nc3)N3CCN(CC3)C(=O)Nc3ccccc3F)c(C)c2c1
Show InChI InChI=1S/C27H26FN5O4/c1-17-20-15-19(36-2)8-9-23(20)37-25(17)26(34)30-18-7-10-24(29-16-18)32-11-13-33(14-12-32)27(35)31-22-6-4-3-5-21(22)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)(H,31,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429009
PNG
(CHEMBL2334100)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C34H31N3O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-23(15-17-37)21-41-28-9-5-8-26(18-28)34(39)40/h2-13,18-20,23H,14-17,21H2,1H3,(H,36,38)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429013
PNG
(CHEMBL2334081)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cn2)c1
Show InChI InChI=1S/C31H29N3O5/c35-30(23-9-12-27(13-10-23)39-26-6-2-1-3-7-26)33-25-11-14-29(32-20-25)34-17-15-22(16-18-34)21-38-28-8-4-5-24(19-28)31(36)37/h1-14,19-20,22H,15-18,21H2,(H,33,35)(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429038
PNG
(CHEMBL2334089)
Show SMILES Cc1c(sc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C26H24FN5O2S/c1-17-19-6-2-5-9-22(19)35-24(17)25(33)29-18-10-11-23(28-16-18)31-12-14-32(15-13-31)26(34)30-21-8-4-3-7-20(21)27/h2-11,16H,12-15H2,1H3,(H,29,33)(H,30,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429036
PNG
(CHEMBL2334091)
Show SMILES FCc1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C26H23F2N5O3/c27-15-19-18-5-1-4-8-22(18)36-24(19)25(34)30-17-9-10-23(29-16-17)32-11-13-33(14-12-32)26(35)31-21-7-3-2-6-20(21)28/h1-10,16H,11-15H2,(H,30,34)(H,31,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429029
PNG
(CHEMBL2334098)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C33H29N5O5/c1-21-26-19-23(22-7-3-2-4-8-22)11-13-28(26)43-30(21)31(39)35-24-12-14-29(34-20-24)37-15-17-38(18-16-37)33(42)36-27-10-6-5-9-25(27)32(40)41/h2-14,19-20H,15-18H2,1H3,(H,35,39)(H,36,42)(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429016
PNG
(CHEMBL2334078)
Show SMILES CC1CCCN(C1)c1nc(c(o1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5/c1-18-4-3-11-37(16-18)28-35-25(29(30,31)32)24(42-28)26(38)34-21-7-8-23(33-15-21)36-12-9-19(10-13-36)17-41-22-6-2-5-20(14-22)27(39)40/h2,5-8,14-15,18-19H,3-4,9-13,16-17H2,1H3,(H,34,38)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429031
PNG
(CHEMBL2334096)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C32H28FN5O3/c1-21-25-19-23(22-7-3-2-4-8-22)11-13-28(25)41-30(21)31(39)35-24-12-14-29(34-20-24)37-15-17-38(18-16-37)32(40)36-27-10-6-5-9-26(27)33/h2-14,19-20H,15-18H2,1H3,(H,35,39)(H,36,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429015
PNG
(CHEMBL2334079)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc4ccccc4c3)cn2)c1
Show InChI InChI=1S/C29H27N3O4/c33-28(23-9-8-21-4-1-2-5-22(21)16-23)31-25-10-11-27(30-18-25)32-14-12-20(13-15-32)19-36-26-7-3-6-24(17-26)29(34)35/h1-11,16-18,20H,12-15,19H2,(H,31,33)(H,34,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429024
PNG
(CHEMBL2334070)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CC[C@H](COc2cccc(c2)C(O)=O)C1
Show InChI InChI=1S/C33H29N3O5/c1-21-28-17-24(23-6-3-2-4-7-23)10-12-29(28)41-31(21)32(37)35-26-11-13-30(34-18-26)36-15-14-22(19-36)20-40-27-9-5-8-25(16-27)33(38)39/h2-13,16-18,22H,14-15,19-20H2,1H3,(H,35,37)(H,38,39)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429023
PNG
(CHEMBL2334071)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(CC(O)=O)c2)CC1
Show InChI InChI=1S/C35H33N3O5/c1-23-30-20-27(26-7-3-2-4-8-26)10-12-31(30)43-34(23)35(41)37-28-11-13-32(36-21-28)38-16-14-24(15-17-38)22-42-29-9-5-6-25(18-29)19-33(39)40/h2-13,18,20-21,24H,14-17,19,22H2,1H3,(H,37,41)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429026
PNG
(CHEMBL2334068)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(CC1)OCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C34H31N3O5/c1-22-29-19-25(24-7-3-2-4-8-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-28(15-17-37)41-21-23-6-5-9-26(18-23)34(39)40/h2-13,18-20,28H,14-17,21H2,1H3,(H,36,38)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429037
PNG
(CHEMBL2334090)
Show SMILES Fc1ccccc1NC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cn1
Show InChI InChI=1S/C25H22FN5O3/c26-19-6-2-3-7-20(19)29-25(33)31-13-11-30(12-14-31)23-10-9-18(16-27-23)28-24(32)22-15-17-5-1-4-8-21(17)34-22/h1-10,15-16H,11-14H2,(H,28,32)(H,29,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429011
PNG
(CHEMBL2334084)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cn2)c1
Show InChI InChI=1S/C32H31N3O5/c36-31(25-9-12-28(13-10-25)39-21-23-5-2-1-3-6-23)34-27-11-14-30(33-20-27)35-17-15-24(16-18-35)22-40-29-8-4-7-26(19-29)32(37)38/h1-14,19-20,24H,15-18,21-22H2,(H,34,36)(H,37,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429025
PNG
(CHEMBL2334069)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CC[C@@H](COc2cccc(c2)C(O)=O)C1
Show InChI InChI=1S/C33H29N3O5/c1-21-28-17-24(23-6-3-2-4-7-23)10-12-29(28)41-31(21)32(37)35-26-11-13-30(34-18-26)36-15-14-22(19-36)20-40-27-9-5-8-25(16-27)33(38)39/h2-13,16-18,22H,14-15,19-20H2,1H3,(H,35,37)(H,38,39)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429040
PNG
(CHEMBL2334087)
Show SMILES Cn1c(cc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C26H25FN6O2/c1-31-22-9-5-2-6-18(22)16-23(31)25(34)29-19-10-11-24(28-17-19)32-12-14-33(15-13-32)26(35)30-21-8-4-3-7-20(21)27/h2-11,16-17H,12-15H2,1H3,(H,29,34)(H,30,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429017
PNG
(CHEMBL2334077)
Show SMILES Cc1c(oc2ccc(cc12)-c1nccs1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C31H28N4O5S/c1-19-25-16-21(30-32-11-14-41-30)5-7-26(25)40-28(19)29(36)34-23-6-8-27(33-17-23)35-12-9-20(10-13-35)18-39-24-4-2-3-22(15-24)31(37)38/h2-8,11,14-17,20H,9-10,12-13,18H2,1H3,(H,34,36)(H,37,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429022
PNG
(CHEMBL2334072)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1cnc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C33H30N4O5/c1-21-28-17-24(23-6-3-2-4-7-23)10-11-29(28)42-30(21)31(38)36-26-18-34-33(35-19-26)37-14-12-22(13-15-37)20-41-27-9-5-8-25(16-27)32(39)40/h2-11,16-19,22H,12-15,20H2,1H3,(H,36,38)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429027
PNG
(CHEMBL2334101)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2ccc(cc2)C(O)=O)CC1
Show InChI InChI=1S/C34H31N3O5/c1-22-29-19-26(24-5-3-2-4-6-24)9-13-30(29)42-32(22)33(38)36-27-10-14-31(35-20-27)37-17-15-23(16-18-37)21-41-28-11-7-25(8-12-28)34(39)40/h2-14,19-20,23H,15-18,21H2,1H3,(H,36,38)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429028
PNG
(CHEMBL2334099)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2ccccc2C(O)=O)CC1
Show InChI InChI=1S/C34H31N3O5/c1-22-28-19-25(24-7-3-2-4-8-24)11-13-30(28)42-32(22)33(38)36-26-12-14-31(35-20-26)37-17-15-23(16-18-37)21-41-29-10-6-5-9-27(29)34(39)40/h2-14,19-20,23H,15-18,21H2,1H3,(H,36,38)(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429018
PNG
(CHEMBL2334076)
Show SMILES Cc1c(oc2ccc(cc12)-c1ncco1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C31H28N4O6/c1-19-25-16-21(30-32-11-14-39-30)5-7-26(25)41-28(19)29(36)34-23-6-8-27(33-17-23)35-12-9-20(10-13-35)18-40-24-4-2-3-22(15-24)31(37)38/h2-8,11,14-17,20H,9-10,12-13,18H2,1H3,(H,34,36)(H,37,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429012
PNG
(CHEMBL2334083)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)cn2)c1
Show InChI InChI=1S/C32H29N3O5/c36-30(23-5-2-1-3-6-23)24-9-11-25(12-10-24)31(37)34-27-13-14-29(33-20-27)35-17-15-22(16-18-35)21-40-28-8-4-7-26(19-28)32(38)39/h1-14,19-20,22H,15-18,21H2,(H,34,37)(H,38,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429014
PNG
(CHEMBL2334080)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc4ccccc4n3)cn2)c1
Show InChI InChI=1S/C28H26N4O4/c33-27(25-10-8-20-4-1-2-7-24(20)31-25)30-22-9-11-26(29-17-22)32-14-12-19(13-15-32)18-36-23-6-3-5-21(16-23)28(34)35/h1-11,16-17,19H,12-15,18H2,(H,30,33)(H,34,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429020
PNG
(CHEMBL2334074)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(N2CCC(COc3cccc(c3)C(O)=O)CC2)c(F)c1
Show InChI InChI=1S/C35H31FN2O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-13-32(29)43-33(22)34(39)37-27-11-12-31(30(36)20-27)38-16-14-23(15-17-38)21-42-28-9-5-8-26(18-28)35(40)41/h2-13,18-20,23H,14-17,21H2,1H3,(H,37,39)(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429041
PNG
(CHEMBL2334086)
Show SMILES Fc1ccccc1NC(=O)N1CCN(CC1)c1ccc(NC(=O)c2oc(nc2C(F)(F)F)N2CCCCC2)cn1
Show InChI InChI=1S/C26H27F4N7O3/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429021
PNG
(CHEMBL2334073)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(cc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C35H32N2O5/c1-23-31-21-26(25-6-3-2-4-7-25)10-15-32(31)42-33(23)34(38)36-28-11-13-29(14-12-28)37-18-16-24(17-19-37)22-41-30-9-5-8-27(20-30)35(39)40/h2-15,20-21,24H,16-19,22H2,1H3,(H,36,38)(H,39,40)
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n/an/a 774n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat...

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429009
PNG
(CHEMBL2334100)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C34H31N3O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-23(15-17-37)21-41-28-9-5-8-26(18-28)34(39)40/h2-13,18-20,23H,14-17,21H2,1H3,(H,36,38)(H,39,40)
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n/an/a 800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))		BDBM50429009
PNG
(CHEMBL2334100)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C34H31N3O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-23(15-17-37)21-41-28-9-5-8-26(18-28)34(39)40/h2-13,18-20,23H,14-17,21H2,1H3,(H,36,38)(H,39,40)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50429008
PNG
(CHEMBL2334082)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
Show InChI InChI=1S/C31H29N3O5/c35-30(23-6-4-11-28(18-23)39-26-8-2-1-3-9-26)33-25-12-13-29(32-20-25)34-16-14-22(15-17-34)21-38-27-10-5-7-24(19-27)31(36)37/h1-13,18-20,22H,14-17,21H2,(H,33,35)(H,36,37)
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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 ACAT1

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))		BDBM50429009
PNG
(CHEMBL2334100)
Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C34H31N3O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-23(15-17-37)21-41-28-9-5-8-26(18-28)34(39)40/h2-13,18-20,23H,14-17,21H2,1H3,(H,36,38)(H,39,40)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50429008
PNG
(CHEMBL2334082)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
Show InChI InChI=1S/C31H29N3O5/c35-30(23-6-4-11-28(18-23)39-26-8-2-1-3-9-26)33-25-12-13-29(32-20-25)34-16-14-22(15-17-34)21-38-27-10-5-7-24(19-27)31(36)37/h1-13,18-20,22H,14-17,21H2,(H,33,35)(H,36,37)
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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 CYP3A4 (unknown origin)

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))		BDBM50429008
PNG
(CHEMBL2334082)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
Show InChI InChI=1S/C31H29N3O5/c35-30(23-6-4-11-28(18-23)39-26-8-2-1-3-9-26)33-25-12-13-29(32-20-25)34-16-14-22(15-17-34)21-38-27-10-5-7-24(19-27)31(36)37/h1-13,18-20,22H,14-17,21H2,(H,33,35)(H,36,37)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2

Bioorg Med Chem Lett 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))		BDBM50429008
PNG
(CHEMBL2334082)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
Show InChI InChI=1S/C31H29N3O5/c35-30(23-6-4-11-28(18-23)39-26-8-2-1-3-9-26)33-25-12-13-29(32-20-25)34-16-14-22(15-17-34)21-38-27-10-5-7-24(19-27)31(36)37/h1-13,18-20,22H,14-17,21H2,(H,33,35)(H,36,37)
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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 23: 985-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%