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Patent code US10865384

Compile Data Set for Download or QSAR
Found 119 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476189
PNG
(US10865384, Compound IM-39 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C22H18N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)
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US Patent
n/an/a 2.70n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476192
PNG
(US10865384, Compound IM-34 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(N)cc1
Show InChI InChI=1S/C21H18N4/c1-14-3-2-4-17(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-18(22)8-6-16/h2-13H,22H2,1H3,(H,24,25)
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n/an/a 2.80n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476187
PNG
(US10865384, Compound IM-37 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C22H19N5O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27-28/h2-13,28H,1H3,(H2,23,27)(H,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476188
PNG
(US10865384, Compound IM-38 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27)
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n/an/a 3.30n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476190
PNG
(US10865384, Compound IM-40 | US10865384, Example 2...)
Show SMILES COC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1cccc(C)c1
Show InChI InChI=1S/C23H19N3O2/c1-15-4-3-5-19(14-15)21-20(16-10-12-24-13-11-16)25-22(26-21)17-6-8-18(9-7-17)23(27)28-2/h3-14H,1-2H3,(H,25,26)
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n/an/a 3.70n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50491733
PNG
(CHEMBL2385554 | US10865384, Compound IM-26)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26)
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n/an/a 4.30n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476191
PNG
(US10865384, Compound IM-32 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O2/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(8-6-16)25(26)27/h2-13H,1H3,(H,23,24)
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n/an/a 4.40n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50491730
PNG
(CHEMBL2385555 | US10865384, Compound IM-19)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C21H16FN3/c1-14-5-4-6-16(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)17-7-2-3-8-18(17)22/h2-13H,1H3,(H,24,25)
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n/an/a 4.70n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476185
PNG
(US10865384, Compound IM-35 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H20N4O2S/c1-15-4-3-5-18(14-15)21-20(16-10-12-23-13-11-16)24-22(25-21)17-6-8-19(9-7-17)26-29(2,27)28/h3-14,26H,1-2H3,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476186
PNG
(US10865384, Compound IM-36 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16N4/c1-15-3-2-4-19(13-15)21-20(17-9-11-24-12-10-17)25-22(26-21)18-7-5-16(14-23)6-8-18/h2-13H,1H3,(H,25,26)
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n/an/a 5.30n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476175
PNG
(US10865384, Compound IM-31 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
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n/an/a 6.40n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476175
PNG
(US10865384, Compound IM-31 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
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n/an/a 6.40n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476175
PNG
(US10865384, Compound IM-31 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
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n/an/a 6.70n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476175
PNG
(US10865384, Compound IM-31 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
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n/an/a 6.80n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476175
PNG
(US10865384, Compound IM-31 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
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n/an/a 6.80n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50491729
PNG
(CHEMBL2385556 | US10865384, Compound IM-27)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24)
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n/an/a 8.40n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476184
PNG
(US10865384, Compound IM-33 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H19N3O2S/c1-15-4-3-5-18(14-15)21-20(16-10-12-23-13-11-16)24-22(25-21)17-6-8-19(9-7-17)28(2,26)27/h3-14H,1-2H3,(H,24,25)
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n/an/a 9.5n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476196
PNG
(US10865384, Compound IM-43 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)C(O)C1=CCCCC1
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n/an/a 11n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476205
PNG
(US10865384, Compound IM-18 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H18F2N2O/c1-13-4-2-5-15(12-13)20-19(14-8-10-26-11-9-14)24-21(25-20)18-16(22)6-3-7-17(18)23/h2-8,12H,9-11H2,1H3,(H,24,25)
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n/an/a 14n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476177
PNG
(US10865384, Compound IM-29 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C24H15F2N3/c25-18-8-5-16(6-9-18)22-23(17-11-13-27-14-12-17)29-24(28-22)20-10-7-15-3-1-2-4-19(15)21(20)26/h1-14H,(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476177
PNG
(US10865384, Compound IM-29 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C24H15F2N3/c25-18-8-5-16(6-9-18)22-23(17-11-13-27-14-12-17)29-24(28-22)20-10-7-15-3-1-2-4-19(15)21(20)26/h1-14H,(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476177
PNG
(US10865384, Compound IM-29 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C24H15F2N3/c25-18-8-5-16(6-9-18)22-23(17-11-13-27-14-12-17)29-24(28-22)20-10-7-15-3-1-2-4-19(15)21(20)26/h1-14H,(H,28,29)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476177
PNG
(US10865384, Compound IM-29 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C24H15F2N3/c25-18-8-5-16(6-9-18)22-23(17-11-13-27-14-12-17)29-24(28-22)20-10-7-15-3-1-2-4-19(15)21(20)26/h1-14H,(H,28,29)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476206
PNG
(US10865384, Compound IM-13 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1Br
Show InChI InChI=1S/C21H19BrN2O/c1-14-5-4-6-16(13-14)20-19(15-9-11-25-12-10-15)23-21(24-20)17-7-2-3-8-18(17)22/h2-9,13H,10-12H2,1H3,(H,23,24)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476207
PNG
(US10865384, Compound IM-17 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N3O3/c1-14-3-2-4-17(13-14)20-19(15-9-11-27-12-10-15)22-21(23-20)16-5-7-18(8-6-16)24(25)26/h2-9,13H,10-12H2,1H3,(H,22,23)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476176
PNG
(US10865384, Compound IM-30 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50491728
PNG
(CHEMBL2385557 | US10865384, Compound IM-4)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C25H18FN3/c1-16-5-4-7-19(15-16)24-23(18-11-13-27-14-12-18)28-25(29-24)21-10-9-17-6-2-3-8-20(17)22(21)26/h2-15H,1H3,(H,28,29)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM192501
PNG
(US10865384, Compound SB203580 | US9187470, 104 (SB...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 24n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476182
PNG
(US10865384, Compound IM-28 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)S(C)=O
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476194
PNG
(US10865384, Compound IM-42 | US10865384, Example 2...)
Show SMILES CN(C)Cc1nc(c([nH]1)-c1ccncc1)-c1cccc(C)c1
Show InChI InChI=1S/C18H20N4/c1-13-5-4-6-15(11-13)18-17(14-7-9-19-10-8-14)20-16(21-18)12-22(2)3/h4-11H,12H2,1-3H3,(H,20,21)
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n/an/a 26n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476176
PNG
(US10865384, Compound IM-30 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476176
PNG
(US10865384, Compound IM-30 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476176
PNG
(US10865384, Compound IM-30 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)
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n/an/a 32n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476176
PNG
(US10865384, Compound IM-30 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476208
PNG
(US10865384, Compound IM-15 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H20N2O2/c1-14-3-2-4-17(13-14)20-19(15-9-11-25-12-10-15)22-21(23-20)16-5-7-18(24)8-6-16/h2-9,13,24H,10-12H2,1H3,(H,22,23)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476209
PNG
(US10865384, Compound IM-12 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1Cl
Show InChI InChI=1S/C21H19ClN2O/c1-14-5-4-6-16(13-14)20-19(15-9-11-25-12-10-15)23-21(24-20)17-7-2-3-8-18(17)22/h2-9,13H,10-12H2,1H3,(H,23,24)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM192501
PNG
(US10865384, Compound SB203580 | US9187470, 104 (SB...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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n/an/a 43n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM192501
PNG
(US10865384, Compound SB203580 | US9187470, 104 (SB...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491733
PNG
(CHEMBL2385554 | US10865384, Compound IM-26)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491733
PNG
(CHEMBL2385554 | US10865384, Compound IM-26)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476193
PNG
(US10865384, Compound IM-44 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc[nH]c1-c1ccncc1
Show InChI InChI=1S/C15H13N3/c1-11-3-2-4-13(9-11)15-14(17-10-18-15)12-5-7-16-8-6-12/h2-10H,1H3,(H,17,18)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476195
PNG
(US10865384, Compound IM-41 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)C#CCCO
Show InChI InChI=1S/C19H17N3O/c1-14-5-4-6-16(13-14)19-18(15-8-10-20-11-9-15)21-17(22-19)7-2-3-12-23/h4-6,8-11,13,23H,3,12H2,1H3,(H,21,22)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 53n/an/an/an/an/an/a



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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476199
PNG
(US10865384, Compound IM-23 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H15F3N2O/c21-14-6-4-12(5-7-14)18-19(13-8-10-26-11-9-13)25-20(24-18)17-15(22)2-1-3-16(17)23/h1-8H,9-11H2,(H,24,25)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM192501
PNG
(US10865384, Compound SB203580 | US9187470, 104 (SB...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM192501
PNG
(US10865384, Compound SB203580 | US9187470, 104 (SB...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476177
PNG
(US10865384, Compound IM-29 | US10865384, Example 1...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C24H15F2N3/c25-18-8-5-16(6-9-18)22-23(17-11-13-27-14-12-17)29-24(28-22)20-10-7-15-3-1-2-4-19(15)21(20)26/h1-14H,(H,28,29)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476204
PNG
(US10865384, Compound IM-16 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc(cc1)S(C)=O
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491733
PNG
(CHEMBL2385554 | US10865384, Compound IM-26)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 78n/an/an/an/an/an/a



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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491733
PNG
(CHEMBL2385554 | US10865384, Compound IM-26)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476219
PNG
(US10865384, Compound D4476)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476210
PNG
(US10865384, Compound IM-06 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C21H19FN2O/c1-14-5-4-6-16(13-14)20-19(15-9-11-25-12-10-15)23-21(24-20)17-7-2-3-8-18(17)22/h2-9,13H,10-12H2,1H3,(H,23,24)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476183
PNG
(US10865384, Compound IM-01 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H19N3/c1-17-5-4-8-21(15-17)24-23(19-11-13-26-14-12-19)27-25(28-24)22-10-9-18-6-2-3-7-20(18)16-22/h2-16H,1H3,(H,27,28)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 107n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476220
PNG
(US10865384, Compound SB431542)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476200
PNG
(US10865384, Compound IM-24 | US10865384, Example 3...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)C1=CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-25-12-10-14)23-20(22-18)15-3-7-17(24)8-4-15/h1-9,24H,10-12H2,(H,22,23)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491730
PNG
(CHEMBL2385555 | US10865384, Compound IM-19)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C21H16FN3/c1-14-5-4-6-16(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)17-7-2-3-8-18(17)22/h2-13H,1H3,(H,24,25)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491730
PNG
(CHEMBL2385555 | US10865384, Compound IM-19)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C21H16FN3/c1-14-5-4-6-16(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)17-7-2-3-8-18(17)22/h2-13H,1H3,(H,24,25)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476219
PNG
(US10865384, Compound D4476)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476220
PNG
(US10865384, Compound SB431542)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476211
PNG
(US10865384, Compound IM-03 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C25H21FN2O/c1-16-5-4-7-19(15-16)24-23(18-11-13-29-14-12-18)27-25(28-24)21-10-9-17-6-2-3-8-20(17)22(21)26/h2-11,15H,12-14H2,1H3,(H,27,28)
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n/an/a 262n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476182
PNG
(US10865384, Compound IM-28 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)S(C)=O
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476182
PNG
(US10865384, Compound IM-28 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)S(C)=O
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491728
PNG
(CHEMBL2385557 | US10865384, Compound IM-4)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C25H18FN3/c1-16-5-4-7-19(15-16)24-23(18-11-13-27-14-12-18)28-25(29-24)21-10-9-17-6-2-3-8-20(17)22(21)26/h2-15H,1H3,(H,28,29)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491728
PNG
(CHEMBL2385557 | US10865384, Compound IM-4)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C25H18FN3/c1-16-5-4-7-19(15-16)24-23(18-11-13-27-14-12-18)28-25(29-24)21-10-9-17-6-2-3-8-20(17)22(21)26/h2-15H,1H3,(H,28,29)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476187
PNG
(US10865384, Compound IM-37 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C22H19N5O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27-28/h2-13,28H,1H3,(H2,23,27)(H,25,26)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476187
PNG
(US10865384, Compound IM-37 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C22H19N5O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27-28/h2-13,28H,1H3,(H2,23,27)(H,25,26)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476189
PNG
(US10865384, Compound IM-39 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C22H18N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476189
PNG
(US10865384, Compound IM-39 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C22H18N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476215
PNG
(US10865384, Compound OZ-06 | US10865384, Example 5...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H15FN2O2S/c1-27(25)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(26-21)15-10-12-23-13-11-15/h2-13H,1H3
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491729
PNG
(CHEMBL2385556 | US10865384, Compound IM-27)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50491729
PNG
(CHEMBL2385556 | US10865384, Compound IM-27)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491730
PNG
(CHEMBL2385555 | US10865384, Compound IM-19)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C21H16FN3/c1-14-5-4-6-16(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)17-7-2-3-8-18(17)22/h2-13H,1H3,(H,24,25)
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n/an/a 454n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491730
PNG
(CHEMBL2385555 | US10865384, Compound IM-19)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C21H16FN3/c1-14-5-4-6-16(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)17-7-2-3-8-18(17)22/h2-13H,1H3,(H,24,25)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476198
PNG
(US10865384, Compound IM-25 | US10865384, Example 3...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)C1=CCOCC1)-c1ccc(F)cc1
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491728
PNG
(CHEMBL2385557 | US10865384, Compound IM-4)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C25H18FN3/c1-16-5-4-7-19(15-16)24-23(18-11-13-27-14-12-18)28-25(29-24)21-10-9-17-6-2-3-8-20(17)22(21)26/h2-15H,1H3,(H,28,29)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491728
PNG
(CHEMBL2385557 | US10865384, Compound IM-4)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C25H18FN3/c1-16-5-4-7-19(15-16)24-23(18-11-13-27-14-12-18)28-25(29-24)21-10-9-17-6-2-3-8-20(17)22(21)26/h2-15H,1H3,(H,28,29)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476212
PNG
(US10865384, Compound IM-11 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H20N2O/c1-15-6-5-9-18(14-15)20-19(16-10-12-24-13-11-16)22-21(23-20)17-7-3-2-4-8-17/h2-10,14H,11-13H2,1H3,(H,22,23)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476199
PNG
(US10865384, Compound IM-23 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H15F3N2O/c21-14-6-4-12(5-7-14)18-19(13-8-10-26-11-9-13)25-20(24-18)17-15(22)2-1-3-16(17)23/h1-8H,9-11H2,(H,24,25)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476199
PNG
(US10865384, Compound IM-23 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H15F3N2O/c21-14-6-4-12(5-7-14)18-19(13-8-10-26-11-9-13)25-20(24-18)17-15(22)2-1-3-16(17)23/h1-8H,9-11H2,(H,24,25)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476201
PNG
(US10865384, Compound IM-20 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C20H16F2N2O/c21-15-7-5-13(6-8-15)18-19(14-9-11-25-12-10-14)24-20(23-18)16-3-1-2-4-17(16)22/h1-9H,10-12H2,(H,23,24)
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Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476182
PNG
(US10865384, Compound IM-28 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)S(C)=O
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476182
PNG
(US10865384, Compound IM-28 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)S(C)=O
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476199
PNG
(US10865384, Compound IM-23 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H15F3N2O/c21-14-6-4-12(5-7-14)18-19(13-8-10-26-11-9-13)25-20(24-18)17-15(22)2-1-3-16(17)23/h1-8H,9-11H2,(H,24,25)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476199
PNG
(US10865384, Compound IM-23 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H15F3N2O/c21-14-6-4-12(5-7-14)18-19(13-8-10-26-11-9-13)25-20(24-18)17-15(22)2-1-3-16(17)23/h1-8H,9-11H2,(H,24,25)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476189
PNG
(US10865384, Compound IM-39 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C22H18N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)
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n/an/a 787n/an/an/an/an/an/a



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Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476189
PNG
(US10865384, Compound IM-39 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C22H18N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)
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Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476187
PNG
(US10865384, Compound IM-37 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C22H19N5O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27-28/h2-13,28H,1H3,(H2,23,27)(H,25,26)
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Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476187
PNG
(US10865384, Compound IM-37 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C22H19N5O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27-28/h2-13,28H,1H3,(H2,23,27)(H,25,26)
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Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476188
PNG
(US10865384, Compound IM-38 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476188
PNG
(US10865384, Compound IM-38 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27)
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Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476201
PNG
(US10865384, Compound IM-20 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C20H16F2N2O/c21-15-7-5-13(6-8-15)18-19(14-9-11-25-12-10-14)24-20(23-18)16-3-1-2-4-17(16)22/h1-9H,10-12H2,(H,23,24)
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n/an/a 1.15E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476201
PNG
(US10865384, Compound IM-20 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C20H16F2N2O/c21-15-7-5-13(6-8-15)18-19(14-9-11-25-12-10-14)24-20(23-18)16-3-1-2-4-17(16)22/h1-9H,10-12H2,(H,23,24)
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Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476205
PNG
(US10865384, Compound IM-18 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H18F2N2O/c1-13-4-2-5-15(12-13)20-19(14-8-10-26-11-9-14)24-21(25-20)18-16(22)6-3-7-17(18)23/h2-8,12H,9-11H2,1H3,(H,24,25)
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n/an/a 1.24E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491729
PNG
(CHEMBL2385556 | US10865384, Compound IM-27)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24)
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n/an/a 1.29E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50491729
PNG
(CHEMBL2385556 | US10865384, Compound IM-27)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476198
PNG
(US10865384, Compound IM-25 | US10865384, Example 3...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)C1=CCOCC1)-c1ccc(F)cc1
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n/an/a 1.49E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476198
PNG
(US10865384, Compound IM-25 | US10865384, Example 3...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)C1=CCOCC1)-c1ccc(F)cc1
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476201
PNG
(US10865384, Compound IM-20 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C20H16F2N2O/c21-15-7-5-13(6-8-15)18-19(14-9-11-25-12-10-14)24-20(23-18)16-3-1-2-4-17(16)22/h1-9H,10-12H2,(H,23,24)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476201
PNG
(US10865384, Compound IM-20 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C20H16F2N2O/c21-15-7-5-13(6-8-15)18-19(14-9-11-25-12-10-14)24-20(23-18)16-3-1-2-4-17(16)22/h1-9H,10-12H2,(H,23,24)
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476202
PNG
(US10865384, Compound IM-22 | US10865384, Example 3...)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C24H18F2N2O/c25-18-8-5-16(6-9-18)22-23(17-11-13-29-14-12-17)28-24(27-22)20-10-7-15-3-1-2-4-19(15)21(20)26/h1-11H,12-14H2,(H,27,28)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476213
PNG
(US10865384, Compound IM-09 | US10865384, Example 4...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(c([nH]1)C1=CCOCC1)-c1cccc(C)c1
Show InChI InChI=1S/C26H24N2O2/c1-17-4-3-5-21(14-17)25-24(18-10-12-30-13-11-18)27-26(28-25)22-7-6-20-16-23(29-2)9-8-19(20)15-22/h3-10,14-16H,11-13H2,1-2H3,(H,27,28)
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n/an/a 2.35E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476204
PNG
(US10865384, Compound IM-16 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc(cc1)S(C)=O
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476204
PNG
(US10865384, Compound IM-16 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc(cc1)S(C)=O
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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476197
PNG
(US10865384, Compound IM-02 | US10865384, Example 2...)
Show SMILES Fc1c(ccc2ccccc12)-c1nc(c([nH]1)-c1ccncc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H15F4N3/c26-21-19-7-2-1-4-15(19)8-9-20(21)24-31-22(16-10-12-30-13-11-16)23(32-24)17-5-3-6-18(14-17)25(27,28)29/h1-14H,(H,31,32)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476203
PNG
(US10865384, Compound IM-21 | US10865384, Example 3...)
Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C21H19FN2O/c1-14-6-8-15(9-7-14)19-20(16-10-12-25-13-11-16)24-21(23-19)17-4-2-3-5-18(17)22/h2-10H,11-13H2,1H3,(H,23,24)
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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476188
PNG
(US10865384, Compound IM-38 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27)
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n/an/a 4.71E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM476188
PNG
(US10865384, Compound IM-38 | US10865384, Example 2...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27)
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n/an/a 4.71E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476214
PNG
(US10865384, Compound IM-14 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccccc1O
Show InChI InChI=1S/C21H20N2O2/c1-14-5-4-6-16(13-14)20-19(15-9-11-25-12-10-15)22-21(23-20)17-7-2-3-8-18(17)24/h2-9,13,24H,10-12H2,1H3,(H,22,23)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM476216
PNG
(US10865384, Compound OZ-12 | US10865384, Example 5...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c(o1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN2O2S/c1-27(25)18-8-4-16(5-9-18)21-24-19(14-10-12-23-13-11-14)20(26-21)15-2-6-17(22)7-3-15/h2-13H,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476204
PNG
(US10865384, Compound IM-16 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc(cc1)S(C)=O
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n/an/a 5.61E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476204
PNG
(US10865384, Compound IM-16 | US10865384, Example 4...)
Show SMILES Cc1cccc(c1)-c1nc([nH]c1C1=CCOCC1)-c1ccc(cc1)S(C)=O
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n/an/a 5.61E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476198
PNG
(US10865384, Compound IM-25 | US10865384, Example 3...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)C1=CCOCC1)-c1ccc(F)cc1
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n/an/a 5.89E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter™ p38 MAP kinase binding assay from ...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM476198
PNG
(US10865384, Compound IM-25 | US10865384, Example 3...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)C1=CCOCC1)-c1ccc(F)cc1
PDB

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US Patent
n/an/a 5.89E+3n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

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