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USPatent US20230405002

Compile data set for download or QSAR
Found 25 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 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 |r|
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n/an/a 4.40n/an/an/an/an/an/a


TBA



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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 |r|
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n/an/a 5.80n/an/an/an/an/an/a


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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 |r|
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n/an/a 8.60n/an/an/an/an/an/a


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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 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM642329
PNG
(US20230405002, Example 10 | US20230405002, Example...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CC[C@H](NC1)C(F)(F)F |r|
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n/an/a 19n/an/an/an/an/an/a


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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM642329
PNG
(US20230405002, Example 10 | US20230405002, Example...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CC[C@H](NC1)C(F)(F)F |r|
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n/an/a 39n/an/an/an/an/an/a


TBA



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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 |r|
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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 |r|
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n/an/a 42n/an/an/an/an/an/a


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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 |r|
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n/an/a 57n/an/an/an/an/an/a


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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 |r|
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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 |r|
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n/an/a 110n/an/an/an/an/an/a


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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 |r|
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n/an/a 140n/an/an/an/an/an/a


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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM642345
PNG
(US20230405002, Example 25 | ac-2-{5-[(3-ethoxypyri...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](C)C1 |r|
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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
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM642339
PNG
(N-[(3S)-5,5-difluoropiperidin-3-yl]-2-{5-[(3- etho...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNCC(F)(F)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM576482
PNG
(US11471458, Example 16 | US20230405002, Example 16)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCCC1(F)F |r|
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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 |r|
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n/an/a 590n/an/an/an/an/an/a


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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 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM642340
PNG
(US20230405002, Example 20 | rac-2-{5-[(3-ethoxypyr...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CNCC[C@H]1C(F)(F)F |r|
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



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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
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n/an/a 3.10E+3n/an/an/an/an/an/a


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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 |r|
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n/an/a 3.30E+3n/an/an/an/an/an/a


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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
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n/an/a 5.00E+3n/an/an/an/an/an/a


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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
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n/an/a 1.40E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM504511
PNG
(US11065249, Example 24 | US11471458, Example 24 | ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@H]1C |r|
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n/an/a 1.60E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM642342
PNG
(2-{5-[(3-ethoxypyridin-2-yl)oxy]pyridin-3- yl}-N-[...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CCCNC1 |r|
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Ligand-Target Pair
* indicates data uncertainty>20%