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Patent code US10906888

Compile Data Set for Download or QSAR

Found 205 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
Pantetheinase


(Homo sapiens (Human))
BDBM480916
PNG
(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrazin-2-yl)...)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cnccn2)nc1
Show InChI InChI=1S/C20H24N6O2/c27-17(26-8-3-19(14-26)4-9-28-10-5-19)15-11-23-18(24-12-15)25-20(1-2-20)16-13-21-6-7-22-16/h6-7,11-13H,1-5,8-10,14H2,(H,23,24,25)
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n/an/a<0.0410n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480924
PNG
(US10906888, Example 138)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1
Show InChI InChI=1S/C20H24N6O2/c27-17(26-13-19(14-26)4-8-28-9-5-19)15-10-23-18(24-11-15)25-20(2-1-3-20)16-12-21-6-7-22-16/h6-7,10-12H,1-5,8-9,13-14H2,(H,23,24,25)
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n/an/a 0.0430n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480965
PNG
(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrazin-2-yl)...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-13-21-6-7-22-16)25-18-23-11-15(12-24-18)17(27)26-8-3-20(14-26)4-9-28-10-5-20/h6-7,11-13H,3-5,8-10,14H2,1-2H3,(H,23,24,25)
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n/an/a 0.0620n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480929
PNG
(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrimidin-5-y...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)
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n/an/a 0.0820n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480917
PNG
(7-oxa-2-azaspiro[3.5]non-2-yl(2-{[2-(pyrazin-2-yl)...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24)
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n/an/a<0.0940n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480956
PNG
(US10906888, Example 173)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cncnc2)nc1
Show InChI InChI=1S/C21H26N6O2/c28-18(27-7-4-20(14-27)5-8-29-9-6-20)16-10-24-19(25-11-16)26-21(2-1-3-21)17-12-22-15-23-13-17/h10-13,15H,1-9,14H2,(H,24,25,26)
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n/an/a 0.116n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480963
PNG
(US10906888, Example 180)
Show SMILES Cc1cnc(cn1)C(C)(C)Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2
Show InChI InChI=1S/C20H26N6O2/c1-14-8-22-16(11-21-14)19(2,3)25-18-23-9-15(10-24-18)17(27)26-12-20(13-26)4-6-28-7-5-20/h8-11H,4-7,12-13H2,1-3H3,(H,23,24,25)
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n/an/a 0.196n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480958
PNG
(US10906888, Example 175)
Show SMILES Cc1ccc(cn1)C1(CC1)Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2
Show InChI InChI=1S/C22H27N5O2/c1-16-2-3-18(14-23-16)22(4-5-22)26-20-24-12-17(13-25-20)19(28)27-9-6-21(15-27)7-10-29-11-8-21/h2-3,12-14H,4-11,15H2,1H3,(H,24,25,26)
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n/an/a 0.240n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480931
PNG
(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[(1S)-1-(pyrazin-...)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1
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n/an/a 0.242n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480971
PNG
(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrimidin-5-y...)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C20H24N6O2/c27-17(26-6-3-19(13-26)4-7-28-8-5-19)15-9-23-18(24-10-15)25-20(1-2-20)16-11-21-14-22-12-16/h9-12,14H,1-8,13H2,(H,23,24,25)
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n/an/a 0.277n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480926
PNG
(US10906888, Example 140)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1ccc(C)nc1
Show InChI InChI=1S/C21H27N5O2/c1-15-3-4-17(11-22-15)16(2)25-20-23-12-18(13-24-20)19(27)26-8-5-21(14-26)6-9-28-10-7-21/h3-4,11-13,16H,5-10,14H2,1-2H3,(H,23,24,25)/t16-/m0/s1
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n/an/a 0.283n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480837
PNG
(US10906888, Example 54)
Show SMILES CC1CC2(CCN(C2)C(=O)c2cnc(NC3(CC3)c3cncnc3)nc2)CC(C)O1
Show InChI InChI=1S/C22H28N6O2/c1-15-7-21(8-16(2)30-15)5-6-28(13-21)19(29)17-9-25-20(26-10-17)27-22(3-4-22)18-11-23-14-24-12-18/h9-12,14-16H,3-8,13H2,1-2H3,(H,25,26,27)
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Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480957
PNG
(US10906888, Example 174)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cncnc2)nc1
Show InChI InChI=1S/C20H24N6O2/c27-17(26-12-19(13-26)4-6-28-7-5-19)15-8-23-18(24-9-15)25-20(2-1-3-20)16-10-21-14-22-11-16/h8-11,14H,1-7,12-13H2,(H,23,24,25)
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n/an/a 0.293n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480918
PNG
(US10906888, Example 132)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(COC2)c2cnccn2)nc1
Show InChI InChI=1S/C20H24N6O3/c27-17(26-6-1-19(12-26)2-7-28-8-3-19)15-9-23-18(24-10-15)25-20(13-29-14-20)16-11-21-4-5-22-16/h4-5,9-11H,1-3,6-8,12-14H2,(H,23,24,25)
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n/an/a 0.349n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480919
PNG
(US10906888, Example 133)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(COC2)c2cncnc2)nc1
Show InChI InChI=1S/C20H24N6O3/c27-17(26-4-1-19(11-26)2-5-28-6-3-19)15-7-23-18(24-8-15)25-20(12-29-13-20)16-9-21-14-22-10-16/h7-10,14H,1-6,11-13H2,(H,23,24,25)
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n/an/a 0.430n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480920
PNG
(US10906888, Example 134)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(COC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H22N6O3/c26-16(25-9-18(10-25)1-3-27-4-2-18)14-5-22-17(23-6-14)24-19(11-28-12-19)15-7-20-13-21-8-15/h5-8,13H,1-4,9-12H2,(H,22,23,24)
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n/an/a 0.504n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480819
PNG
(US10906888, Example 37)
Show SMILES CCC1(CC)CCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C20H26N6O/c1-3-19(4-2)7-8-26(13-19)17(27)15-9-23-18(24-10-15)25-20(5-6-20)16-11-21-14-22-12-16/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)
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Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480960
PNG
(US10906888, Example 177)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2ccccn2)nc1
Show InChI InChI=1S/C21H25N5O2/c27-18(26-10-6-20(15-26)7-11-28-12-8-20)16-13-23-19(24-14-16)25-21(4-5-21)17-3-1-2-9-22-17/h1-3,9,13-14H,4-8,10-12,15H2,(H,23,24,25)
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n/an/a 0.551n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480984
PNG
(US10906888, Example 201)
Show SMILES CC[C@@]1(CO)CCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H24N6O2/c1-2-18(12-26)5-6-25(11-18)16(27)14-7-22-17(23-8-14)24-19(3-4-19)15-9-20-13-21-10-15/h7-10,13,26H,2-6,11-12H2,1H3,(H,22,23,24)/t18-/m1/s1
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n/an/a 0.582n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480945
PNG
(US10906888, Example 162)
Show SMILES CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1ccc(C)nc1
Show InChI InChI=1S/C21H27N5O2/c1-15-3-4-17(11-22-15)16(2)25-20-23-12-18(13-24-20)19(27)26-8-5-21(14-26)6-9-28-10-7-21/h3-4,11-13,16H,5-10,14H2,1-2H3,(H,23,24,25)
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n/an/a 0.629n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480933
PNG
(US10906888, Example 147)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C18H22N6O2/c1-13(15-10-19-4-5-20-15)23-17-21-8-14(9-22-17)16(25)24-11-18(12-24)2-6-26-7-3-18/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480934
PNG
(US10906888, Example 149)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C19H24N6O2/c1-14(15-8-20-13-21-9-15)24-18-22-10-16(11-23-18)17(26)25-5-2-19(12-25)3-6-27-7-4-19/h8-11,13-14H,2-7,12H2,1H3,(H,22,23,24)/t14-/m0/s1
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n/an/a 0.677n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480930
PNG
(US10906888, Example 144)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C19H24N6O2/c1-18(2,15-9-20-13-21-10-15)24-17-22-7-14(8-23-17)16(26)25-11-19(12-25)3-5-27-6-4-19/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23,24)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480966
PNG
(US10906888, Example 183)
Show SMILES CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C19H24N6O2/c1-14(15-8-20-13-21-9-15)24-18-22-10-16(11-23-18)17(26)25-5-2-19(12-25)3-6-27-7-4-19/h8-11,13-14H,2-7,12H2,1H3,(H,22,23,24)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480972
PNG
(US10906888, Example 189)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H22N6O2/c26-16(25-11-18(12-25)3-5-27-6-4-18)14-7-22-17(23-8-14)24-19(1-2-19)15-9-20-13-21-10-15/h7-10,13H,1-6,11-12H2,(H,22,23,24)
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Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480916
PNG
(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrazin-2-yl)...)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cnccn2)nc1
Show InChI InChI=1S/C20H24N6O2/c27-17(26-8-3-19(14-26)4-9-28-10-5-19)15-11-23-18(24-12-15)25-20(1-2-20)16-13-21-6-7-22-16/h6-7,11-13H,1-5,8-10,14H2,(H,23,24,25)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480959
PNG
(US10906888, Example 176)
Show SMILES Cc1ccc(cn1)C1(CC1)Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2
Show InChI InChI=1S/C21H25N5O2/c1-15-2-3-17(12-22-15)21(4-5-21)25-19-23-10-16(11-24-19)18(27)26-13-20(14-26)6-8-28-9-7-20/h2-3,10-12H,4-9,13-14H2,1H3,(H,23,24,25)
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Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480935
PNG
(US10906888, Example 151)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C18H22N6O2/c1-13(14-6-19-12-20-7-14)23-17-21-8-15(9-22-17)16(25)24-10-18(11-24)2-4-26-5-3-18/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,22,23)/t13-/m0/s1
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480941
PNG
(US10906888, Example 158)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cnccn2)nc1
Show InChI InChI=1S/C19H22N6O2/c26-16(25-12-18(13-25)3-7-27-8-4-18)14-9-22-17(23-10-14)24-19(1-2-19)15-11-20-5-6-21-15/h5-6,9-11H,1-4,7-8,12-13H2,(H,22,23,24)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480942
PNG
(US10906888, Example 159)
Show SMILES CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnc(C)nc1
Show InChI InChI=1S/C20H26N6O2/c1-14(16-9-21-15(2)22-10-16)25-19-23-11-17(12-24-19)18(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480783
PNG
(US10906888, Example 1)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C19H23N5O2/c25-17(24-7-3-19(14-24)4-8-26-9-5-19)16-12-22-18(23-13-16)21-11-15-2-1-6-20-10-15/h1-2,6,10,12-13H,3-5,7-9,11,14H2,(H,21,22,23)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480784
PNG
(US10906888, Example 2)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H21N5O2/c24-16(23-12-18(13-23)3-6-25-7-4-18)15-10-21-17(22-11-15)20-9-14-2-1-5-19-8-14/h1-2,5,8,10-11H,3-4,6-7,9,12-13H2,(H,20,21,22)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480826
PNG
(US10906888, Example 43)
Show SMILES O=C(N1CCC(C1)c1cc[nH]n1)c1cnc(NC2(CC2)c2cncnc2)nc1
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Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480967
PNG
(US10906888, Example 184)
Show SMILES CC(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C18H22N6O2/c1-13(14-6-19-12-20-7-14)23-17-21-8-15(9-22-17)16(25)24-10-18(11-24)2-4-26-5-3-18/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,22,23)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480974
PNG
(US10906888, Example 191)
Show SMILES CC1(C)CCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C18H22N6O/c1-17(2)5-6-24(11-17)15(25)13-7-21-16(22-8-13)23-18(3-4-18)14-9-19-12-20-10-14/h7-10,12H,3-6,11H2,1-2H3,(H,21,22,23)
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Pfizer Inc.

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Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480785
PNG
(US10906888, Example 3)
Show SMILES OC1CCCC2CN(CC12)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C19H23N5O2/c25-17-5-1-4-14-11-24(12-16(14)17)18(26)15-9-22-19(23-10-15)21-8-13-3-2-6-20-7-13/h2-3,6-7,9-10,14,16-17,25H,1,4-5,8,11-12H2,(H,21,22,23)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480946
PNG
(US10906888, Example 163)
Show SMILES CC(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1ccc(C)nc1
Show InChI InChI=1S/C20H25N5O2/c1-14-3-4-16(9-21-14)15(2)24-19-22-10-17(11-23-19)18(26)25-12-20(13-25)5-7-27-8-6-20/h3-4,9-11,15H,5-8,12-13H2,1-2H3,(H,22,23,24)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480849
PNG
(US10906888, Example 65)
Show SMILES Cc1cc([nH]n1)C1CCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480853
PNG
(US10906888, Example 69)
Show SMILES O=C(N1CC2CCCC2C1)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H22N6O/c26-17(25-10-13-2-1-3-14(13)11-25)15-6-22-18(23-7-15)24-19(4-5-19)16-8-20-12-21-9-16/h6-9,12-14H,1-5,10-11H2,(H,22,23,24)
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Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480961
PNG
(US10906888, Example 178)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2ncccn2)nc1
Show InChI InChI=1S/C20H24N6O2/c27-16(26-9-4-19(14-26)5-10-28-11-6-19)15-12-23-18(24-13-15)25-20(2-3-20)17-21-7-1-8-22-17/h1,7-8,12-13H,2-6,9-11,14H2,(H,23,24,25)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480975
PNG
(US10906888, Example 192)
Show SMILES CCC1(CCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1)OC
Show InChI InChI=1S/C19H24N6O2/c1-3-18(27-2)6-7-25(12-18)16(26)14-8-22-17(23-9-14)24-19(4-5-19)15-10-20-13-21-11-15/h8-11,13H,3-7,12H2,1-2H3,(H,22,23,24)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480890
PNG
(US10906888, Example 104)
Show SMILES CCOC1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H24N6O2/c1-2-27-16-4-3-7-25(12-16)17(26)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-13-21-11-15/h8-11,13,16H,2-7,12H2,1H3,(H,22,23,24)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480845
PNG
(US10906888, Example 61)
Show SMILES OC[C@@]12CN(CC1CCCC2)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C21H26N6O2/c28-13-20-4-2-1-3-16(20)11-27(12-20)18(29)15-7-24-19(25-8-15)26-21(5-6-21)17-9-22-14-23-10-17/h7-10,14,16,28H,1-6,11-13H2,(H,24,25,26)/t16?,20-/m1/s1
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480943
PNG
(US10906888, Example 160)
Show SMILES CC(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnc(C)nc1
Show InChI InChI=1S/C19H24N6O2/c1-13(15-7-20-14(2)21-8-15)24-18-22-9-16(10-23-18)17(26)25-11-19(12-25)3-5-27-6-4-19/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23,24)
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US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480911
PNG
(US10906888, Example 125)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCN2CCC[C@H]2C1)c1cnccn1
Show InChI InChI=1S/C18H23N7O/c1-13(16-11-19-4-5-20-16)23-18-21-9-14(10-22-18)17(26)25-8-7-24-6-2-3-15(24)12-25/h4-5,9-11,13,15H,2-3,6-8,12H2,1H3,(H,21,22,23)/t13-,15-/m0/s1
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Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480921
PNG
(US10906888, Example 135)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C17H20N6O2/c24-15(23-11-17(12-23)1-5-25-6-2-17)13-7-20-16(21-8-13)22-10-14-9-18-3-4-19-14/h3-4,7-9H,1-2,5-6,10-12H2,(H,20,21,22)
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Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480858
PNG
(US10906888, Example 74)
Show SMILES FC(F)(F)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C18H19F3N6O/c19-18(20,21)13-2-1-5-27(10-13)15(28)12-6-24-16(25-7-12)26-17(3-4-17)14-8-22-11-23-9-14/h6-9,11,13H,1-5,10H2,(H,24,25,26)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.62n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480846
PNG
(US10906888, Example 62)
Show SMILES CC1CN(C[C@]1(C)CO)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H24N6O2/c1-13-9-25(10-18(13,2)11-26)16(27)14-5-22-17(23-6-14)24-19(3-4-19)15-7-20-12-21-8-15/h5-8,12-13,26H,3-4,9-11H2,1-2H3,(H,22,23,24)/t13?,18-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.92n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480907
PNG
(US10906888, Example 121)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCN2C[C@@H](F)C[C@H]2C1)c1cnccn1
Show InChI InChI=1S/C18H22FN7O/c1-12(16-9-20-2-3-21-16)24-18-22-7-13(8-23-18)17(27)26-5-4-25-10-14(19)6-15(25)11-26/h2-3,7-9,12,14-15H,4-6,10-11H2,1H3,(H,22,23,24)/t12-,14-,15-/m0/s1
PDB

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PC cid
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US Patent
n/an/a 3.95n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM480936
PNG
(US10906888, Example 153)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1ccnnc1
Show InChI InChI=1S/C19H24N6O2/c1-14(15-2-6-22-23-12-15)24-18-20-10-16(11-21-18)17(26)25-7-3-19(13-25)4-8-27-9-5-19/h2,6,10-12,14H,3-5,7-9,13H2,1H3,(H,20,21,24)/t14-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.29n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...


US Patent US10906888 (2021)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%