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Compile Data Set for Download or QSAR

Found 802 hits of ph data with Target = 'Casein kinase I delta/epsilon'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255045
PNG
(US9475817, 1)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
Show InChI InChI=1S/C22H16FN7O/c1-29-12-17(21(28-29)14-2-4-16(23)5-3-14)18-6-7-20-25-19(13-30(20)27-18)26-22(31)15-8-10-24-11-9-15/h2-13H,1H3,(H,26,31)
PDB

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US Patent
n/an/a 7.40n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255046
PNG
(US9475817, 2)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cc(Cl)nc4ccccc34)cn2n1
Show InChI InChI=1S/C26H17ClFN7O/c1-34-13-19(25(33-34)15-6-8-16(28)9-7-15)21-10-11-24-30-23(14-35(24)32-21)31-26(36)18-12-22(27)29-20-5-3-2-4-17(18)20/h2-14H,1H3,(H,31,36)
PDB

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n/an/a 19.2n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255047
PNG
(US9475817, 3)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cc(F)nc(F)c3)cn2n1
Show InChI InChI=1S/C22H14F3N7O/c1-31-10-15(21(30-31)12-2-4-14(23)5-3-12)16-6-7-20-27-19(11-32(20)29-16)28-22(33)13-8-17(24)26-18(25)9-13/h2-11H,1H3,(H,28,33)
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n/an/a 15.4n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255048
PNG
(US9475817, 4)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H19FN8OS/c1-15-24(37-26(29-15)17-9-11-28-12-10-17)25(36)31-21-14-35-22(30-21)8-7-20(32-35)19-13-34(2)33-23(19)16-3-5-18(27)6-4-16/h3-14H,1-2H3,(H,31,36)
PDB

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n/an/a 13.7n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255049
PNG
(US9475817, 5)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C26H19FN8OS/c1-15-24(37-26(29-15)17-4-3-11-28-12-17)25(36)31-21-14-35-22(30-21)10-9-20(32-35)19-13-34(2)33-23(19)16-5-7-18(27)8-6-16/h3-14H,1-2H3,(H,31,36)
PDB

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n/an/a 17.8n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255050
PNG
(US9475817, 6)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1)-c1ccccn1
Show InChI InChI=1S/C26H19FN8OS/c1-15-24(37-26(29-15)20-5-3-4-12-28-20)25(36)31-21-14-35-22(30-21)11-10-19(32-35)18-13-34(2)33-23(18)16-6-8-17(27)9-7-16/h3-14H,1-2H3,(H,31,36)
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n/an/a 17.3n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255051
PNG
(US9475817, 7)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C27H20FN7OS/c1-16-25(37-27(29-16)18-6-4-3-5-7-18)26(36)31-22-15-35-23(30-22)13-12-21(32-35)20-14-34(2)33-24(20)17-8-10-19(28)11-9-17/h3-15H,1-2H3,(H,31,36)
PDB

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n/an/a 34.1n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255052
PNG
(US9475817, 8)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3csc(n3)-c3ccncc3)cn2n1
Show InChI InChI=1S/C25H17FN8OS/c1-33-12-18(23(32-33)15-2-4-17(26)5-3-15)19-6-7-22-29-21(13-34(22)31-19)30-24(35)20-14-36-25(28-20)16-8-10-27-11-9-16/h2-14H,1H3,(H,30,35)
PDB

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n/an/a 31.4n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255053
PNG
(US9475817, 10)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3csc(n3)-c3ccccc3)cn2n1
Show InChI InChI=1S/C26H18FN7OS/c1-33-13-19(24(32-33)16-7-9-18(27)10-8-16)20-11-12-23-29-22(14-34(23)31-20)30-25(35)21-15-36-26(28-21)17-5-3-2-4-6-17/h2-15H,1H3,(H,30,35)
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n/an/a 104n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255054
PNG
(US9475817, 11)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3csc(n3)-c3ccc(Cl)cc3)cn2n1
Show InChI InChI=1S/C26H17ClFN7OS/c1-34-12-19(24(33-34)15-4-8-18(28)9-5-15)20-10-11-23-30-22(13-35(23)32-20)31-25(36)21-14-37-26(29-21)16-2-6-17(27)7-3-16/h2-14H,1H3,(H,31,36)
PDB

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n/an/a 899n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255055
PNG
(US9475817, 12)
Show SMILES Cc1nocc1C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O2/c1-12-16(11-31-27-12)21(30)24-18-10-29-19(23-18)8-7-17(25-29)15-9-28(2)26-20(15)13-3-5-14(22)6-4-13/h3-11H,1-2H3,(H,24,30)
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n/an/a 28.8n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255056
PNG
(US9475817, 13)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3csc(Br)n3)cn2n1
Show InChI InChI=1S/C20H13BrFN7OS/c1-28-8-13(18(27-28)11-2-4-12(22)5-3-11)14-6-7-17-24-16(9-29(17)26-14)25-19(30)15-10-31-20(21)23-15/h2-10H,1H3,(H,25,30)
PDB

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n/an/a 22.9n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255057
PNG
(US9475817, 14)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cscn3)cn2n1
Show InChI InChI=1S/C20H14FN7OS/c1-27-8-14(19(26-27)12-2-4-13(21)5-3-12)15-6-7-18-23-17(9-28(18)25-15)24-20(29)16-10-30-11-22-16/h2-11H,1H3,(H,24,29)
PDB

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n/an/a 23.4n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255058
PNG
(US9475817, 15)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cccc(c3)-c3cccnc3)cn2n1
Show InChI InChI=1S/C28H20FN7O/c1-35-16-23(27(34-35)18-7-9-22(29)10-8-18)24-11-12-26-31-25(17-36(26)33-24)32-28(37)20-5-2-4-19(14-20)21-6-3-13-30-15-21/h2-17H,1H3,(H,32,37)
PDB

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n/an/a 8.10n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255059
PNG
(US9475817, 16)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cccc(c3)-c3ccncc3)cn2n1
Show InChI InChI=1S/C28H20FN7O/c1-35-16-23(27(34-35)19-5-7-22(29)8-6-19)24-9-10-26-31-25(17-36(26)33-24)32-28(37)21-4-2-3-20(15-21)18-11-13-30-14-12-18/h2-17H,1H3,(H,32,37)
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n/an/a 23.3n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255060
PNG
(US9475817, 17)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cncc(c3)-c3ccccc3)cn2n1
Show InChI InChI=1S/C28H20FN7O/c1-35-16-23(27(34-35)19-7-9-22(29)10-8-19)24-11-12-26-31-25(17-36(26)33-24)32-28(37)21-13-20(14-30-15-21)18-5-3-2-4-6-18/h2-17H,1H3,(H,32,37)
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n/an/a 26.9n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255061
PNG
(US9475817, 18)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cncc(c3)-c3ccc(cc3)C#N)cn2n1
Show InChI InChI=1S/C29H19FN8O/c1-37-16-24(28(36-37)20-6-8-23(30)9-7-20)25-10-11-27-33-26(17-38(27)35-25)34-29(39)22-12-21(14-32-15-22)19-4-2-18(13-31)3-5-19/h2-12,14-17H,1H3,(H,34,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255062
PNG
(US9475817, 19)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cccc(c3)N3CCOCC3)cn2n1
Show InChI InChI=1S/C27H24FN7O2/c1-33-16-22(26(32-33)18-5-7-20(28)8-6-18)23-9-10-25-29-24(17-35(25)31-23)30-27(36)19-3-2-4-21(15-19)34-11-13-37-14-12-34/h2-10,15-17H,11-14H2,1H3,(H,30,36)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255063
PNG
(US9475817, 20)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccccc3F)cn2n1
Show InChI InChI=1S/C23H16F2N6O/c1-30-12-17(22(29-30)14-6-8-15(24)9-7-14)19-10-11-21-26-20(13-31(21)28-19)27-23(32)16-4-2-3-5-18(16)25/h2-13H,1H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255064
PNG
(US9475817, 21)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cnccn3)cn2n1
Show InChI InChI=1S/C21H15FN8O/c1-29-11-15(20(28-29)13-2-4-14(22)5-3-13)16-6-7-19-25-18(12-30(19)27-16)26-21(31)17-10-23-8-9-24-17/h2-12H,1H3,(H,26,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255065
PNG
(US9475817, 22)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccno3)cn2n1
Show InChI InChI=1S/C20H14FN7O2/c1-27-10-14(19(26-27)12-2-4-13(21)5-3-12)15-6-7-18-23-17(11-28(18)25-15)24-20(29)16-8-9-22-30-16/h2-11H,1H3,(H,24,29)
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n/an/a 15.2n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255066
PNG
(US9475817, 23)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cccc(F)c3)cn2n1
Show InChI InChI=1S/C23H16F2N6O/c1-30-12-18(22(29-30)14-5-7-16(24)8-6-14)19-9-10-21-26-20(13-31(21)28-19)27-23(32)15-3-2-4-17(25)11-15/h2-13H,1H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255067
PNG
(US9475817, 24)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccc(Cl)cc3F)cn2n1
Show InChI InChI=1S/C23H15ClF2N6O/c1-31-11-17(22(30-31)13-2-5-15(25)6-3-13)19-8-9-21-27-20(12-32(21)29-19)28-23(33)16-7-4-14(24)10-18(16)26/h2-12H,1H3,(H,28,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255068
PNG
(US9475817, 25)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccnnc3)cn2n1
Show InChI InChI=1S/C21H15FN8O/c1-29-11-16(20(28-29)13-2-4-15(22)5-3-13)17-6-7-19-25-18(12-30(19)27-17)26-21(31)14-8-9-23-24-10-14/h2-12H,1H3,(H,26,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255069
PNG
(US9475817, 26)
Show SMILES CN(C)Cc1cccc(c1)C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN7O/c1-32(2)14-17-5-4-6-19(13-17)26(35)29-23-16-34-24(28-23)12-11-22(30-34)21-15-33(3)31-25(21)18-7-9-20(27)10-8-18/h4-13,15-16H,14H2,1-3H3,(H,29,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255070
PNG
(US9475817, 27)
Show SMILES CN(C)Cc1ccccc1C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN7O/c1-32(2)14-18-6-4-5-7-20(18)26(35)29-23-16-34-24(28-23)13-12-22(30-34)21-15-33(3)31-25(21)17-8-10-19(27)11-9-17/h4-13,15-16H,14H2,1-3H3,(H,29,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255071
PNG
(US9475817, 28)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cncs3)cn2n1
Show InChI InChI=1S/C20H14FN7OS/c1-27-9-14(19(26-27)12-2-4-13(21)5-3-12)15-6-7-18-23-17(10-28(18)25-15)24-20(29)16-8-22-11-30-16/h2-11H,1H3,(H,24,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255072
PNG
(US9475817, 29)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ncccn3)cn2n1
Show InChI InChI=1S/C21H15FN8O/c1-29-11-15(19(28-29)13-3-5-14(22)6-4-13)16-7-8-18-25-17(12-30(18)27-16)26-21(31)20-23-9-2-10-24-20/h2-12H,1H3,(H,26,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255073
PNG
(US9475817, 30)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccc(CN4CCCC4)cc3)cn2n1
Show InChI InChI=1S/C28H26FN7O/c1-34-17-23(27(33-34)20-8-10-22(29)11-9-20)24-12-13-26-30-25(18-36(26)32-24)31-28(37)21-6-4-19(5-7-21)16-35-14-2-3-15-35/h4-13,17-18H,2-3,14-16H2,1H3,(H,31,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255074
PNG
(US9475817, 31)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C28H28FN7O/c1-4-35(5-2)16-19-6-8-21(9-7-19)28(37)31-25-18-36-26(30-25)15-14-24(32-36)23-17-34(3)33-27(23)20-10-12-22(29)13-11-20/h6-15,17-18H,4-5,16H2,1-3H3,(H,31,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255075
PNG
(US9475817, 32)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cc(ncn3)C(C)(C)C)cn2n1
Show InChI InChI=1S/C25H23FN8O/c1-25(2,3)20-11-19(27-14-28-20)24(35)30-21-13-34-22(29-21)10-9-18(31-34)17-12-33(4)32-23(17)15-5-7-16(26)8-6-15/h5-14H,1-4H3,(H,30,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255076
PNG
(US9475817, 33)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cc(ncn3)-c3ccc(F)cc3)cn2n1
Show InChI InChI=1S/C27H18F2N8O/c1-36-13-20(26(35-36)17-4-8-19(29)9-5-17)21-10-11-25-32-24(14-37(25)34-21)33-27(38)23-12-22(30-15-31-23)16-2-6-18(28)7-3-16/h2-15H,1H3,(H,33,38)
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n/an/a 454n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255077
PNG
(US9475817, 34)
Show SMILES Cc1c[nH]nc1C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN8O/c1-12-9-23-26-19(12)21(31)25-17-11-30-18(24-17)8-7-16(27-30)15-10-29(2)28-20(15)13-3-5-14(22)6-4-13/h3-11H,1-2H3,(H,23,26)(H,25,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255078
PNG
(US9475817, 35)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccncc3F)cn2n1
Show InChI InChI=1S/C22H15F2N7O/c1-30-11-16(21(29-30)13-2-4-14(23)5-3-13)18-6-7-20-26-19(12-31(20)28-18)27-22(32)15-8-9-25-10-17(15)24/h2-12H,1H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255079
PNG
(US9475817, 36)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ncccc3Cl)cn2n1
Show InChI InChI=1S/C22H15ClFN7O/c1-30-11-15(20(29-30)13-4-6-14(24)7-5-13)17-8-9-19-26-18(12-31(19)28-17)27-22(32)21-16(23)3-2-10-25-21/h2-12H,1H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255080
PNG
(US9475817, 37)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3nccs3)cn2n1
Show InChI InChI=1S/C20H14FN7OS/c1-27-10-14(18(26-27)12-2-4-13(21)5-3-12)15-6-7-17-23-16(11-28(17)25-15)24-19(29)20-22-8-9-30-20/h2-11H,1H3,(H,24,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255081
PNG
(US9475817, 38)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccncn3)cn2n1
Show InChI InChI=1S/C21H15FN8O/c1-29-10-15(20(28-29)13-2-4-14(22)5-3-13)16-6-7-19-25-18(11-30(19)27-16)26-21(31)17-8-9-23-12-24-17/h2-12H,1H3,(H,26,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255082
PNG
(US9475817, 39)
Show SMILES COc1cc(nc(OC)n1)C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H19FN8O3/c1-31-11-15(21(30-31)13-4-6-14(24)7-5-13)16-8-9-19-26-18(12-32(19)29-16)27-22(33)17-10-20(34-2)28-23(25-17)35-3/h4-12H,1-3H3,(H,27,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255083
PNG
(US9475817, 40)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)C3CCOCC3)cn2n1
Show InChI InChI=1S/C22H21FN6O2/c1-28-12-17(21(27-28)14-2-4-16(23)5-3-14)18-6-7-20-24-19(13-29(20)26-18)25-22(30)15-8-10-31-11-9-15/h2-7,12-13,15H,8-11H2,1H3,(H,25,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255084
PNG
(US9475817, 41)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccc(CO)cc3F)cn2n1
Show InChI InChI=1S/C24H18F2N6O2/c1-31-11-18(23(30-31)15-3-5-16(25)6-4-15)20-8-9-22-27-21(12-32(22)29-20)28-24(34)17-7-2-14(13-33)10-19(17)26/h2-12,33H,13H2,1H3,(H,28,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255085
PNG
(US9475817, 42)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccc(Br)cc3F)cn2n1
Show InChI InChI=1S/C23H15BrF2N6O/c1-31-11-17(22(30-31)13-2-5-15(25)6-3-13)19-8-9-21-27-20(12-32(21)29-19)28-23(33)16-7-4-14(24)10-18(16)26/h2-12H,1H3,(H,28,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255089
PNG
(US9475817, 46)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cncc(Cl)c3)cn2n1
Show InChI InChI=1S/C22H15ClFN7O/c1-30-11-17(21(29-30)13-2-4-16(24)5-3-13)18-6-7-20-26-19(12-31(20)28-18)27-22(32)14-8-15(23)10-25-9-14/h2-12H,1H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255090
PNG
(US9475817, 47)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cc(Cl)ccc3F)cn2n1
Show InChI InChI=1S/C23H15ClF2N6O/c1-31-11-17(22(30-31)13-2-5-15(25)6-3-13)19-8-9-21-27-20(12-32(21)29-19)28-23(33)16-10-14(24)4-7-18(16)26/h2-12H,1H3,(H,28,33)
PDB

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US Patent
n/an/a 19.9n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255091
PNG
(US9475817, 48)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccc(C#N)c(F)c3)cn2n1
Show InChI InChI=1S/C24H15F2N7O/c1-32-12-18(23(31-32)14-4-6-17(25)7-5-14)20-8-9-22-28-21(13-33(22)30-20)29-24(34)15-2-3-16(11-27)19(26)10-15/h2-10,12-13H,1H3,(H,29,34)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255092
PNG
(US9475817, 49)
Show SMILES COc1cc(ccn1)C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN7O2/c1-30-12-17(22(29-30)14-3-5-16(24)6-4-14)18-7-8-20-26-19(13-31(20)28-18)27-23(32)15-9-10-25-21(11-15)33-2/h3-13H,1-2H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255093
PNG
(US9475817, 50)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccnc(c3)C(C)(C)C)cn2n1
Show InChI InChI=1S/C26H24FN7O/c1-26(2,3)21-13-17(11-12-28-21)25(35)30-22-15-34-23(29-22)10-9-20(31-34)19-14-33(4)32-24(19)16-5-7-18(27)8-6-16/h5-15H,1-4H3,(H,30,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255094
PNG
(US9475817, 51)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3cc(F)ccc3F)cn2n1
Show InChI InChI=1S/C23H15F3N6O/c1-31-11-17(22(30-31)13-2-4-14(24)5-3-13)19-8-9-21-27-20(12-32(21)29-19)28-23(33)16-10-15(25)6-7-18(16)26/h2-12H,1H3,(H,28,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255095
PNG
(US9475817, 52)
Show SMILES Cc1cc(ccn1)C(=O)Nc1cn2nc(ccc2n1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN7O/c1-14-11-16(9-10-25-14)23(32)27-20-13-31-21(26-20)8-7-19(28-31)18-12-30(2)29-22(18)15-3-5-17(24)6-4-15/h3-13H,1-2H3,(H,27,32)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255096
PNG
(US9475817, 53)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccc(nc3)C#N)cn2n1
Show InChI InChI=1S/C23H15FN8O/c1-31-12-18(22(30-31)14-2-5-16(24)6-3-14)19-8-9-21-27-20(13-32(21)29-19)28-23(33)15-4-7-17(10-25)26-11-15/h2-9,11-13H,1H3,(H,28,33)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255097
PNG
(US9475817, 54)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C22H15F2N7O/c1-30-11-16(21(29-30)13-2-4-15(23)5-3-13)17-6-7-20-26-19(12-31(20)28-17)27-22(32)14-8-9-25-18(24)10-14/h2-12H,1H3,(H,27,32)
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 14n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
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