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Found 1545 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta'   
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))
BDBM274740
PNG
((S)-4,4-difluoro-N-(6-(4-(4- fluorophenyl)-1,2-dim...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)[C@@H]4CC(F)(F)CN4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N7O/c1-12-27-19(13-3-5-14(23)6-4-13)20(31(12)2)15-7-8-18-28-17(10-32(18)30-15)29-21(33)16-9-22(24,25)11-26-16/h3-8,10,16,26H,9,11H2,1-2H3,(H,29,33)/t16-/m0/s1
PDB

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n/an/a 3.09n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274741
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)C(=O)c4ccccc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN6O2/c1-15-27-22(16-8-10-18(26)11-9-16)23(31(15)2)19-12-13-21-28-20(14-32(21)30-19)29-25(34)24(33)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,29,34)
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n/an/a 1.21n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274742
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)C(=O)c4nccn4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19FN8O2/c1-13-26-19(14-4-6-15(24)7-5-14)20(31(13)3)16-8-9-18-27-17(12-32(18)29-16)28-23(34)21(33)22-25-10-11-30(22)2/h4-12H,1-3H3,(H,28,34)
PDB

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n/an/a 2.97n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274743
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc5ccccc5[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H20FN7O/c1-15-28-24(16-7-9-18(27)10-8-16)25(33(15)2)20-11-12-23-30-22(14-34(23)32-20)31-26(35)21-13-17-5-3-4-6-19(17)29-21/h3-14,29H,1-2H3,(H,31,35)
PDB

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n/an/a 1.73n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274744
PNG
(2-fluoro-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17F2N7O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H,29,33)
PDB

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n/an/a 0.274n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274745
PNG
(6-fluoro-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(F)nc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17F2N7O/c1-13-27-21(14-3-6-16(24)7-4-14)22(31(13)2)17-8-10-20-28-19(12-32(20)30-17)29-23(33)15-5-9-18(25)26-11-15/h3-12H,1-2H3,(H,29,33)
PDB

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n/an/a 0.152n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274746
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(O)nc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN7O2/c1-13-26-21(14-3-6-16(24)7-4-14)22(30(13)2)17-8-9-19-27-18(12-31(19)29-17)28-23(33)15-5-10-20(32)25-11-15/h3-12H,1-2H3,(H,25,32)(H,28,33)
PDB

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n/an/a 0.473n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274747
PNG
(2-amino-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1H...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19FN8O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H2,25,26)(H,29,33)
PDB

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n/an/a 0.401n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274748
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(c4)N4CCOCC4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN8O2/c1-17-30-25(18-3-5-20(28)6-4-18)26(34(17)2)21-7-8-23-31-22(16-36(23)33-21)32-27(37)19-9-10-29-24(15-19)35-11-13-38-14-12-35/h3-10,15-16H,11-14H2,1-2H3,(H,32,37)
PDB

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n/an/a 0.344n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274749
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccc(c4)-c4cccnc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C29H22FN7O/c1-18-32-27(19-8-10-23(30)11-9-19)28(36(18)2)24-12-13-26-33-25(17-37(26)35-24)34-29(38)21-6-3-5-20(15-21)22-7-4-14-31-16-22/h3-17H,1-2H3,(H,34,38)
PDB

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n/an/a 0.323n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274750
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1cc[nH]c1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN7O/c1-13-10-11-25-20(13)23(32)28-18-12-31-19(27-18)9-8-17(29-31)22-21(26-14(2)30(22)3)15-4-6-16(24)7-5-15/h4-12,25H,1-3H3,(H,28,32)
PDB

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n/an/a 2.68n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274752
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccc5ncccc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(17-8-10-18(28)11-9-17)26(34(16)2)22-12-13-24-31-23(15-35(24)33-22)32-27(36)20-5-3-7-21-19(20)6-4-14-29-21/h3-15H,1-2H3,(H,32,36)
PDB

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n/an/a 0.676n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274752
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccc5ncccc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(17-8-10-18(28)11-9-17)26(34(16)2)22-12-13-24-31-23(15-35(24)33-22)32-27(36)20-5-3-7-21-19(20)6-4-14-29-21/h3-15H,1-2H3,(H,32,36)
PDB

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n/an/a 0.335n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274753
PNG
(5-(4-chlorophenyl)-N-(6-(4- (4-fluorophenyl)-1,2-d...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc([nH]4)-c4ccc(Cl)cc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C28H21ClFN7O/c1-16-31-26(18-5-9-20(30)10-6-18)27(36(16)2)22-13-14-25-33-24(15-37(25)35-22)34-28(38)23-12-11-21(32-23)17-3-7-19(29)8-4-17/h3-15,32H,1-2H3,(H,34,38)
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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274754
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccc5cnccc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(17-6-8-19(28)9-7-17)26(34(16)2)22-10-11-24-31-23(15-35(24)33-22)32-27(36)21-5-3-4-18-14-29-13-12-20(18)21/h3-15H,1-2H3,(H,32,36)
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n/an/a 0.373n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274755
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccc5ccncc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(18-6-8-19(28)9-7-18)26(34(16)2)22-10-11-24-31-23(15-35(24)33-22)32-27(36)20-5-3-4-17-12-13-29-14-21(17)20/h3-15H,1-2H3,(H,32,36)
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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274756
PNG
(6-fluoro-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc5ccc(F)cc5[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H19F2N7O/c1-14-29-24(15-3-6-17(27)7-4-15)25(34(14)2)19-9-10-23-31-22(13-35(23)33-19)32-26(36)21-11-16-5-8-18(28)12-20(16)30-21/h3-13,30H,1-2H3,(H,32,36)
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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274757
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc([nH]4)-c4ccccc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C28H22FN7O/c1-17-30-26(19-8-10-20(29)11-9-19)27(35(17)2)22-14-15-25-32-24(16-36(25)34-22)33-28(37)23-13-12-21(31-23)18-6-4-3-5-7-18/h3-16,31H,1-2H3,(H,33,37)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274758
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)C4=CCc5ccncc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H20FN7O/c1-15-29-24(17-3-6-18(27)7-4-17)25(33(15)2)21-9-10-23-30-22(14-34(23)32-21)31-26(35)19-8-5-16-11-12-28-13-20(16)19/h3-4,6-14H,5H2,1-2H3,(H,31,35)
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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274759
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccns4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7OS/c1-12-24-19(13-3-5-14(22)6-4-13)20(28(12)2)15-7-8-18-25-17(11-29(18)27-15)26-21(30)16-9-10-23-31-16/h3-11H,1-2H3,(H,26,30)
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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274760
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc5ncccc5c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(17-5-8-20(28)9-6-17)26(34(16)2)22-11-12-24-31-23(15-35(24)33-22)32-27(36)19-7-10-21-18(14-19)4-3-13-29-21/h3-15H,1-2H3,(H,32,36)
PDB

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n/an/a 0.507n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274761
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc5cccnc5c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(18-7-9-20(28)10-8-18)26(34(16)2)21-11-12-24-31-23(15-35(24)33-21)32-27(36)19-6-5-17-4-3-13-29-22(17)14-19/h3-15H,1-2H3,(H,32,36)
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n/an/a 0.271n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274762
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1c[nH]c(c1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN7O/c1-13-10-18(25-11-13)23(32)28-19-12-31-20(27-19)9-8-17(29-31)22-21(26-14(2)30(22)3)15-4-6-16(24)7-5-15/h4-12,25H,1-3H3,(H,28,32)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274763
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc5cnccc5c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(17-5-7-21(28)8-6-17)26(34(16)2)22-9-10-24-31-23(15-35(24)33-22)32-27(36)19-3-4-20-14-29-12-11-18(20)13-19/h3-15H,1-2H3,(H,32,36)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274764
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4snnc4-c4ccccc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H19FN8OS/c1-15-28-22(17-8-10-18(27)11-9-17)24(34(15)2)19-12-13-21-29-20(14-35(21)32-19)30-26(36)25-23(31-33-37-25)16-6-4-3-5-7-16/h3-14H,1-2H3,(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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274765
PNG
(4-fluoro-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc5c(F)cccc5[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H19F2N7O/c1-14-29-24(15-6-8-16(27)9-7-15)25(34(14)2)20-10-11-23-31-22(13-35(23)33-20)32-26(36)21-12-17-18(28)4-3-5-19(17)30-21/h3-13,30H,1-2H3,(H,32,36)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274766
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4c[nH]c5ccccc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H20FN7O/c1-15-29-24(16-7-9-17(27)10-8-16)25(33(15)2)21-11-12-23-30-22(14-34(23)32-21)31-26(35)19-13-28-20-6-4-3-5-18(19)20/h3-14,28H,1-2H3,(H,31,35)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274767
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4c[nH]c5ncccc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN8O/c1-14-29-22(15-5-7-16(26)8-6-15)23(33(14)2)19-9-10-21-30-20(13-34(21)32-19)31-25(35)18-12-28-24-17(18)4-3-11-27-24/h3-13H,1-2H3,(H,27,28)(H,31,35)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274768
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccc5cccnc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(18-8-10-19(28)11-9-18)26(34(16)2)21-12-13-23-31-22(15-35(23)33-21)32-27(36)20-7-3-5-17-6-4-14-29-24(17)20/h3-15H,1-2H3,(H,32,36)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274769
PNG
(4,6-dichloro-N-(6-(4-(4- fluorophenyl)-1,2-dimethy...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc5cc(Cl)cc(Cl)c5[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H18Cl2FN7O/c1-13-30-24(14-3-5-17(29)6-4-14)25(35(13)2)19-7-8-22-32-21(12-36(22)34-19)33-26(37)20-10-15-9-16(27)11-18(28)23(15)31-20/h3-12,31H,1-2H3,(H,33,37)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274770
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)C4CCN(CC4)c4ccncc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27FN8O/c1-18-31-26(19-3-5-21(29)6-4-19)27(35(18)2)23-7-8-25-32-24(17-37(25)34-23)33-28(38)20-11-15-36(16-12-20)22-9-13-30-14-10-22/h3-10,13-14,17,20H,11-12,15-16H2,1-2H3,(H,33,38)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274771
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H22FN7O2/c1-15-29-25(16-7-9-17(28)10-8-16)26(34(15)2)20-11-12-24-31-23(14-35(24)33-20)32-27(36)21-13-18-19(30-21)5-4-6-22(18)37-3/h4-14,30H,1-3H3,(H,32,36)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274772
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc[nH]c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O/c1-13-25-20(14-3-5-16(23)6-4-14)21(29(13)2)17-7-8-19-26-18(12-30(19)28-17)27-22(31)15-9-10-24-11-15/h3-12,24H,1-2H3,(H,27,31)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274773
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1cc([nH]n1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-12-10-17(28-27-12)22(32)26-18-11-31-19(25-18)9-8-16(29-31)21-20(24-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,26,32)(H,27,28)
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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274774
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cncnc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN8O/c1-13-26-20(14-3-5-16(23)6-4-14)21(30(13)2)17-7-8-19-27-18(11-31(19)29-17)28-22(32)15-9-24-12-25-10-15/h3-12H,1-2H3,(H,28,32)
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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274775
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nnsc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN8OS/c1-11-20(32-28-26-11)21(31)25-16-10-30-17(24-16)9-8-15(27-30)19-18(23-12(2)29(19)3)13-4-6-14(22)7-5-13/h4-10H,1-3H3,(H,25,31)
PDB

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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274776
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnn4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-15(23)7-5-14)21(29(13)2)16-8-9-19-26-18(12-31(19)28-16)27-22(32)17-10-11-24-30(17)3/h4-12H,1-3H3,(H,27,32)
PDB

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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274777
PNG
(1-acetyl-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES CC(=O)N1CCCC1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN7O2/c1-14-26-22(16-6-8-17(25)9-7-16)23(30(14)3)18-10-11-21-27-20(13-32(21)29-18)28-24(34)19-5-4-12-31(19)15(2)33/h6-11,13,19H,4-5,12H2,1-3H3,(H,28,34)
PDB

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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274778
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccn(C)n4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-24-20(14-4-6-15(23)7-5-14)21(30(13)3)16-8-9-19-25-18(12-31(19)28-16)26-22(32)17-10-11-29(2)27-17/h4-12H,1-3H3,(H,26,32)
PDB

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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274779
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cocn4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O2/c1-12-24-19(13-3-5-14(22)6-4-13)20(28(12)2)15-7-8-18-25-17(9-29(18)27-15)26-21(30)16-10-31-11-23-16/h3-11H,1-2H3,(H,26,30)
PDB

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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274780
PNG
(4-cyano-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1H...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(cc4)[N+]#[C-])cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C25H18FN7O/c1-15-28-23(16-4-8-18(26)9-5-16)24(32(15)3)20-12-13-22-29-21(14-33(22)31-20)30-25(34)17-6-10-19(27-2)11-7-17/h4-14H,1,3H3,(H,30,34)
PDB

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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274781
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccn4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN7O/c1-14-25-21(15-6-8-16(24)9-7-15)22(30(14)3)17-10-11-20-26-19(13-31(20)28-17)27-23(32)18-5-4-12-29(18)2/h4-13H,1-3H3,(H,27,32)
PDB

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Bristol-Myers Squibb Company

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


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274782
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O/c1-13-25-20(14-5-7-15(23)8-6-14)21(29(13)2)16-9-10-19-26-18(12-30(19)28-16)27-22(31)17-4-3-11-24-17/h3-12,24H,1-2H3,(H,27,31)
PDB

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US Patent
n/an/a 0.534n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274783
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cnn(C)c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-16(23)7-5-14)21(30(13)3)17-8-9-19-26-18(12-31(19)28-17)27-22(32)15-10-24-29(2)11-15/h4-12H,1-3H3,(H,27,32)
PDB

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US Patent
n/an/a 0.599n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274784
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cncn4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-15(23)7-5-14)21(30(13)3)16-8-9-19-26-18(11-31(19)28-16)27-22(32)17-10-24-12-29(17)2/h4-12H,1-3H3,(H,27,32)
PDB

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US Patent
n/an/a 0.520n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274785
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nocc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O2/c1-12-16(11-32-28-12)22(31)26-18-10-30-19(25-18)9-8-17(27-30)21-20(24-13(2)29(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,26,31)
PDB

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n/an/a 74.8n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274786
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cn(C)cn4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-15(23)7-5-14)21(30(13)3)16-8-9-19-26-18(11-31(19)28-16)27-22(32)17-10-29(2)12-24-17/h4-12H,1-3H3,(H,27,32)
PDB

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US Patent
n/an/a 6.34n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274777
PNG
(1-acetyl-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES CC(=O)N1CCCC1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN7O2/c1-14-26-22(16-6-8-17(25)9-7-16)23(30(14)3)18-10-11-21-27-20(13-32(21)29-18)28-24(34)19-5-4-12-31(19)15(2)33/h6-11,13,19H,4-5,12H2,1-3H3,(H,28,34)
PDB

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n/an/a 2.36n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274788
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cn[nH]c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN8O/c1-12-25-19(13-3-5-15(22)6-4-13)20(29(12)2)16-7-8-18-26-17(11-30(18)28-16)27-21(31)14-9-23-24-10-14/h3-11H,1-2H3,(H,23,24)(H,27,31)
PDB

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n/an/a 0.566n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

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


(Homo sapiens (Human))
BDBM274789
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cnoc4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O2/c1-12-16(10-24-32-12)22(31)27-18-11-30-19(26-18)9-8-17(28-30)21-20(25-13(2)29(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,27,31)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 103n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
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