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PubMed code 24900321

Compile data set for download or QSAR
Found 10 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))
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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PubMed
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM27947
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
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PubMed
n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(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 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr...


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50363956
PNG
(CHEMBL1952025)
Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(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 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr...


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Rattus norvegicus (rat))
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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PubMed
n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat DGAT-1


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50363956
PNG
(CHEMBL1952025)
Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(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 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM27947
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
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PubMed
n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr...


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM27947
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human DGAT-2


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(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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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human DGAT-2


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50363956
PNG
(CHEMBL1952025)
Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(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>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human DGAT-2


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%