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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 9962   
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 2


(Homo sapiens (Human))
BDBM276763
PNG
(US10071992, Example 8 | US11034678, Example 8 | US...)
Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1
Show InChI InChI=1S/C21H20FN5O4/c1-2-30-18-6-15(22)10-26-21(18)31-17-5-13(7-23-11-17)19-24-8-14(9-25-19)20(28)27-16-3-4-29-12-16/h5-11,16H,2-4,12H2,1H3,(H,27,28)/t16-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276759
PNG
(US10071992, Example 4 | US11034678, Example 4)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)C#N
Show InChI InChI=1S/C21H20N6O3/c1-4-29-17-6-5-7-24-20(17)30-16-8-14(9-23-12-16)18-25-10-15(11-26-18)19(28)27-21(2,3)13-22/h5-12H,4H2,1-3H3,(H,27,28)
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n/an/a 7.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276749
PNG
(US10188653, Example 19.21 | US11034678, WO20151406...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)NC(C)(C)CO
Show InChI InChI=1S/C22H30N4O4/c1-4-29-18-9-5-6-10-19(18)30-17-8-7-11-26(14-17)21-23-12-16(13-24-21)20(28)25-22(2,3)15-27/h5-6,9-10,12-13,17,27H,4,7-8,11,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276752
PNG
(2-(5-((3-ethoxypyridin- 2-yl)oxy)pyridin-3-yl)-N-(...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1(C)CCS(=O)(=O)C1
Show InChI InChI=1S/C22H23N5O5S/c1-3-31-18-5-4-7-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2)6-8-33(29,30)14-22/h4-5,7,9-13H,3,6,8,14H2,1-2H3,(H,27,28)
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n/an/a 13.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276748
PNG
(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO
Show InChI InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276748
PNG
(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO
Show InChI InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276750
PNG
((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1
Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1
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n/an/a 17.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM503723
PNG
((R)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@]1(CO)CCOC1
Show InChI InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)/t22-/m1/s1
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n/an/a 20.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276761
PNG
((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@]1(CO)CCOC1
Show InChI InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)/t22-/m0/s1
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n/an/a 23.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM503720
PNG
(US11034678, Example 3.6)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CS(C)(=O)=O
Show InChI InChI=1S/C22H25N5O5S/c1-5-31-18-7-6-8-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2,3)14-33(4,29)30/h6-13H,5,14H2,1-4H3,(H,27,28)
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n/an/a 35.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM503721
PNG
(US11034678, Example 3.7)
Show SMILES FCCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1
Show InChI InChI=1S/C21H20FN5O4/c22-4-7-30-18-2-1-5-24-21(18)31-17-8-14(9-23-12-17)19-25-10-15(11-26-19)20(28)27-16-3-6-29-13-16/h1-2,5,8-12,16H,3-4,6-7,13H2,(H,27,28)/t16-/m0/s1
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n/an/a 66.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276762
PNG
(US10071992, Example 7 | US11034678, Example 7)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(nn1)C(=O)NC(C)(C)CO
Show InChI InChI=1S/C20H22N6O4/c1-4-29-16-6-5-7-22-19(16)30-14-8-13(9-21-10-14)17-23-11-15(25-26-17)18(28)24-20(2,3)12-27/h5-11,27H,4,12H2,1-3H3,(H,24,28)
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n/an/a 83n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM503716
PNG
(US11034678, Example 3.2)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(CO)CO
Show InChI InChI=1S/C21H23N5O5/c1-3-30-17-5-4-6-23-20(17)31-16-7-14(8-22-11-16)18-24-9-15(10-25-18)19(29)26-21(2,12-27)13-28/h4-11,27-28H,3,12-13H2,1-2H3,(H,26,29)
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n/an/a 83.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM503718
PNG
(US11034678, Example 3.4)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(nn1)C(=O)N[C@H]1CCOC1
Show InChI InChI=1S/C20H20N6O4/c1-2-29-17-4-3-6-22-20(17)30-15-8-13(9-21-10-15)18-23-11-16(25-26-18)19(27)24-14-5-7-28-12-14/h3-4,6,8-11,14H,2,5,7,12H2,1H3,(H,24,27)/t14-/m0/s1
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n/an/a 181n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276754
PNG
(N-(1,1-dioxidotetrahydro- thiophen-3-yl)-2-(5-((3-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C21H21N5O5S/c1-2-30-18-4-3-6-23-21(18)31-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-32(28,29)13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)
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n/an/a 196n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276751
PNG
((R)-2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CCOC1
Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM503719
PNG
(US11034678, Example 3.5)
Show SMILES CCOc1nccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO
Show InChI InChI=1S/C20H22N6O4/c1-4-29-18-19(23-6-5-22-18)30-15-7-13(8-21-11-15)16-24-9-14(10-25-16)17(28)26-20(2,3)12-27/h5-11,27H,4,12H2,1-3H3,(H,26,28)
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair