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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 9982   
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 3.30n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504497
PNG
(First-eluting enantiomer from separation of Exampl...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCC(NC1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O3/c1-2-34-18-4-3-7-28-22(18)35-17-8-14(9-27-13-17)20-30-10-15(11-31-20)21(33)32-16-5-6-19(29-12-16)23(24,25)26/h3-4,7-11,13,16,19,29H,2,5-6,12H2,1H3,(H,32,33)
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n/an/a 4.40n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504419
PNG
(2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...)
Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@@H]1F
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-19-6-15(23)10-29-22(19)33-16-5-13(7-26-11-16)20-27-8-14(9-28-20)21(31)30-18-12-25-4-3-17(18)24/h5-11,17-18,25H,2-4,12H2,1H3,(H,30,31)/t17-,18+/m0/s1
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n/an/a 5.80n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504424
PNG
(2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...)
Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-19-5-16(24)10-29-22(19)33-18-3-13(6-25-12-18)20-27-7-14(8-28-20)21(31)30-17-4-15(23)9-26-11-17/h3,5-8,10,12,15,17,26H,2,4,9,11H2,1H3,(H,30,31)/t15-,17-/m0/s1
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n/an/a 8.60n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504484
PNG
(2-{5-[(3-Ethoxypyridin-2-yl)oxy]pyridin-3-yl}-N-[(...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1
Show InChI InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-5-26-22(19)32-18-6-14(8-24-13-18)20-27-9-15(10-28-20)21(30)29-17-7-16(23)11-25-12-17/h3-6,8-10,13,16-17,25H,2,7,11-12H2,1H3,(H,29,30)/t16-,17-/m0/s1
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n/an/a 10n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (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 13n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (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 17n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504495
PNG
(First-eluting isomer (see footnote 4 in Table 1); ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CC[C@@H](NC1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O3/c1-2-34-18-4-3-7-28-22(18)35-17-8-14(9-27-13-17)20-30-10-15(11-31-20)21(33)32-16-5-6-19(29-12-16)23(24,25)26/h3-4,7-11,13,16,19,29H,2,5-6,12H2,1H3,(H,32,33)/t16-,19+/m0/s1
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n/an/a 19n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (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 25n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (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 29n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504497
PNG
(First-eluting enantiomer from separation of Exampl...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCC(NC1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O3/c1-2-34-18-4-3-7-28-22(18)35-17-8-14(9-27-13-17)20-30-10-15(11-31-20)21(33)32-16-5-6-19(29-12-16)23(24,25)26/h3-4,7-11,13,16,19,29H,2,5-6,12H2,1H3,(H,32,33)
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n/an/a 39n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504482
PNG
(2-{5-[(3-Ethoxypyridin-2-yl)oxy]pyridin-3-yl}-N-[(...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@@H]1F
Show InChI InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-6-26-22(19)32-16-8-14(9-25-12-16)20-27-10-15(11-28-20)21(30)29-18-13-24-7-5-17(18)23/h3-4,6,8-12,17-18,24H,2,5,7,13H2,1H3,(H,29,30)/t17-,18+/m0/s1
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n/an/a 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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504494
PNG
(2-{5-[(3-ethoxypyridin-2-yl)oxy]pyridin- 3-yl}-N-[...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNC[C@H](F)C1
Show InChI InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-5-26-22(19)32-18-6-14(8-24-13-18)20-27-9-15(10-28-20)21(30)29-17-7-16(23)11-25-12-17/h3-6,8-10,13,16-17,25H,2,7,11-12H2,1H3,(H,29,30)/t16-,17-/m1/s1
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n/an/a 42n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504500
PNG
(2-{5-[(3-ethoxy-5-fluoropyridin-2- yl)oxy]pyridin-...)
Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNCC[C@@H]1F
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-19-6-15(23)10-29-22(19)33-16-5-13(7-26-11-16)20-27-8-14(9-28-20)21(31)30-18-12-25-4-3-17(18)24/h5-11,17-18,25H,2-4,12H2,1H3,(H,30,31)/t17-,18-/m0/s1
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n/an/a 57n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504493
PNG
(2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...)
Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@H]1F
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-19-6-15(23)10-29-22(19)33-16-5-13(7-26-11-16)20-27-8-14(9-28-20)21(31)30-18-12-25-4-3-17(18)24/h5-11,17-18,25H,2-4,12H2,1H3,(H,30,31)/t17-,18-/m1/s1
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n/an/a 80n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504492
PNG
(2-{5-[(3-Ethoxypyridin-2-yl)oxy]pyridin-3-yl}-N-[(...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@H]1F
Show InChI InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-6-26-22(19)32-16-8-14(9-25-12-16)20-27-10-15(11-28-20)21(30)29-18-13-24-7-5-17(18)23/h3-4,6,8-12,17-18,24H,2,5,7,13H2,1H3,(H,29,30)/t17-,18-/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504505
PNG
(First-eluting enantiomer (see footnote 8 in Table ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC(F)(F)C1
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-18-4-3-5-27-21(18)33-17-6-14(8-25-12-17)19-28-9-15(10-29-19)20(31)30-16-7-22(23,24)13-26-11-16/h3-6,8-10,12,16,26H,2,7,11,13H2,1H3,(H,30,31)/t16-/m0/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504512
PNG
(US11065249, Example 25 | rac-2-{5-[(3-ethoxypyridi...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNC[C@@H](F)C1
Show InChI InChI=1S/C22H22FN6O3/c1-2-31-19-4-3-5-26-22(19)32-18-6-14(8-24-13-18)20-27-9-15(10-28-20)21(30)29-17-7-16(23)11-25-12-17/h3-6,8-10,13,16-17H,2,7,11-12H2,1H3,(H,29,30)/t16-,17+/m0/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (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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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504504
PNG
(N-(5,5-difluoropiperidin-3-yl)-2-{5-[(3- ethoxypyr...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CNCC(F)(F)C1
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-18-4-3-5-27-21(18)33-17-6-14(8-25-12-17)19-28-9-15(10-29-19)20(31)30-16-7-22(23,24)13-26-11-16/h3-6,8-10,12,16,26H,2,7,11,13H2,1H3,(H,30,31)
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n/an/a 230n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504505
PNG
(First-eluting enantiomer (see footnote 8 in Table ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC(F)(F)C1
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-18-4-3-5-27-21(18)33-17-6-14(8-25-12-17)19-28-9-15(10-29-19)20(31)30-16-7-22(23,24)13-26-11-16/h3-6,8-10,12,16,26H,2,7,11,13H2,1H3,(H,30,31)/t16-/m0/s1
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n/an/a 240n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504502
PNG
(From first-eluting enantiomer of intermediate (see...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNCCC1(F)F
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-17-4-3-6-27-21(17)33-16-8-14(9-26-12-16)19-28-10-15(11-29-19)20(31)30-18-13-25-7-5-22(18,23)24/h3-4,6,8-12,18,25H,2,5,7,13H2,1H3,(H,30,31)/t18-/m0/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504499
PNG
(2-{5-[(3-ethoxypyridin-2-yl)oxy]pyridin- 3-yl}-N-[...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNCC[C@@H]1F
Show InChI InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-6-26-22(19)32-16-8-14(9-25-12-16)20-27-10-15(11-28-20)21(30)29-18-13-24-7-5-17(18)23/h3-4,6,8-12,17-18,24H,2,5,7,13H2,1H3,(H,29,30)/t17-,18-/m0/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504495
PNG
(First-eluting isomer (see footnote 4 in Table 1); ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CC[C@@H](NC1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O3/c1-2-34-18-4-3-7-28-22(18)35-17-8-14(9-27-13-17)20-30-10-15(11-31-20)21(33)32-16-5-6-19(29-12-16)23(24,25)26/h3-4,7-11,13,16,19,29H,2,5-6,12H2,1H3,(H,32,33)/t16-,19+/m0/s1
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n/an/a 650n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504507
PNG
(US11065249, Example 20 | rac-2-{5-[(3-ethoxypyridi...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNCC[C@H]1C
Show InChI InChI=1S/C23H26N6O3/c1-3-31-20-5-4-7-26-23(20)32-18-9-16(10-25-13-18)21-27-11-17(12-28-21)22(30)29-19-14-24-8-6-15(19)2/h4-5,7,9-13,15,19,24H,3,6,8,14H2,1-2H3,(H,29,30)/t15-,19+/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504501
PNG
(2-{5-[(3-ethoxypyridin-2-yl)oxy]pyridin- 3-yl}-N-[...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCCNC1
Show InChI InChI=1S/C22H24N6O3/c1-2-30-19-6-4-8-25-22(19)31-18-9-15(10-24-14-18)20-26-11-16(12-27-20)21(29)28-17-5-3-7-23-13-17/h4,6,8-12,14,17,23H,2-3,5,7,13H2,1H3,(H,28,29)
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n/an/a 3.10E+3n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504502
PNG
(From first-eluting enantiomer of intermediate (see...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNCCC1(F)F
Show InChI InChI=1S/C22H22F2N6O3/c1-2-32-17-4-3-6-27-21(17)33-16-8-14(9-26-12-16)19-28-10-15(11-29-19)20(31)30-18-13-25-7-5-22(18,23)24/h3-4,6,8-12,18,25H,2,5,7,13H2,1H3,(H,30,31)/t18-/m0/s1
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n/an/a 3.30E+3n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504501
PNG
(2-{5-[(3-ethoxypyridin-2-yl)oxy]pyridin- 3-yl}-N-[...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCCNC1
Show InChI InChI=1S/C22H24N6O3/c1-2-30-19-6-4-8-25-22(19)31-18-9-15(10-24-14-18)20-26-11-16(12-27-20)21(29)28-17-5-3-7-23-13-17/h4,6,8-12,14,17,23H,2-3,5,7,13H2,1H3,(H,28,29)
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n/an/a 5.00E+3n/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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504510
PNG
(2-{5-[(3-ethoxypyridin-2-yl)oxy]pyridin- 3-yl}-N-(...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCCNC1C
Show InChI InChI=1S/C23H26N6O3/c1-3-31-20-7-5-9-26-23(20)32-18-10-16(11-24-14-18)21-27-12-17(13-28-21)22(30)29-19-6-4-8-25-15(19)2/h5,7,9-15,19,25H,3-4,6,8H2,1-2H3,(H,29,30)
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n/an/a 1.40E+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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504511
PNG
(US11065249, Example 24 | rac-2-{5-[(3-ethoxypyridi...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@H]1C
Show InChI InChI=1S/C23H26N6O3/c1-3-31-20-5-4-7-26-23(20)32-18-9-16(10-25-13-18)21-27-11-17(12-28-21)22(30)29-19-14-24-8-6-15(19)2/h4-5,7,9-13,15,19,24H,3,6,8,14H2,1-2H3,(H,29,30)/t15-,19-/m1/s1
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n/an/a 1.60E+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 polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

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


(Homo sapiens (Human))
BDBM504501
PNG
(2-{5-[(3-ethoxypyridin-2-yl)oxy]pyridin- 3-yl}-N-[...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCCNC1
Show InChI InChI=1S/C22H24N6O3/c1-2-30-19-6-4-8-25-22(19)31-18-9-15(10-24-14-18)20-26-11-16(12-27-20)21(29)28-17-5-3-7-23-13-17/h4,6,8-12,14,17,23H,2-3,5,7,13H2,1H3,(H,28,29)
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Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...


US Patent US11065249 (2021)

More data for this
Ligand-Target Pair