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Patent code US9475817

Compile Data Set for Download or QSAR

Found 402 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM255164
PNG
(US9475817, 123)
Show SMILES Cn1nc(c(c1N1CCN(CC1)C(=O)CN)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N10O2/c1-37-28(39-12-10-38(11-13-39)24(41)15-31)25(26(36-37)17-2-4-19(29)5-3-17)20-6-7-23-33-22(16-40(23)35-20)34-27(42)18-8-9-32-21(30)14-18/h2-9,14,16H,10-13,15,31H2,1H3,(H,34,42)
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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...


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


(Homo sapiens (Human))
BDBM255158
PNG
(US9475817, 117)
Show SMILES Cn1nc(c(c1N1CCN(CCO)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27F2N9O2/c1-36-28(38-12-10-37(11-13-38)14-15-40)25(26(35-36)18-2-4-20(29)5-3-18)21-6-7-24-32-23(17-39(24)34-21)33-27(41)19-8-9-31-22(30)16-19/h2-9,16-17,40H,10-15H2,1H3,(H,33,41)
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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...


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


(Homo sapiens (Human))
BDBM255237
PNG
(US9475817, 196)
Show SMILES Cn1nc(c(c1C1CCOCC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H23F2N7O2/c1-35-26(17-9-12-38-13-10-17)24(25(34-35)16-2-4-19(28)5-3-16)20-6-7-23-31-22(15-36(23)33-20)32-27(37)18-8-11-30-21(29)14-18/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,32,37)
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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...


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


(Homo sapiens (Human))
BDBM255199
PNG
(US9475817, 158)
Show SMILES Cn1nc(c(c1C1CCN(C[C@@H](O)C(F)(F)F)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F5N8O2/c1-41-28(18-9-12-42(13-10-18)15-22(44)30(33,34)35)26(27(40-41)17-2-4-20(31)5-3-17)21-6-7-25-37-24(16-43(25)39-21)38-29(45)19-8-11-36-23(32)14-19/h2-8,11,14,16,18,22,44H,9-10,12-13,15H2,1H3,(H,38,45)/t22-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM255164
PNG
(US9475817, 123)
Show SMILES Cn1nc(c(c1N1CCN(CC1)C(=O)CN)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N10O2/c1-37-28(39-12-10-38(11-13-39)24(41)15-31)25(26(36-37)17-2-4-19(29)5-3-17)20-6-7-23-33-22(16-40(23)35-20)34-27(42)18-8-9-32-21(30)14-18/h2-9,14,16H,10-13,15,31H2,1H3,(H,34,42)
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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...


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


(Homo sapiens (Human))
BDBM255219
PNG
(US9475817, 178)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(CC(N)=O)CC1)-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C33H31FN10O2S/c1-19-31(47-33(37-19)22-4-3-13-36-16-22)32(46)39-26-18-44-27(38-26)10-9-24(40-44)28-29(20-5-7-23(34)8-6-20)41-42(2)30(28)21-11-14-43(15-12-21)17-25(35)45/h3-10,13,16,18,21H,11-12,14-15,17H2,1-2H3,(H2,35,45)(H,39,46)
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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...


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


(Homo sapiens (Human))
BDBM255165
PNG
(US9475817, 124)
Show SMILES Cn1nc(c(c1N1CCN(CC(N)=O)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N10O2/c1-37-28(39-12-10-38(11-13-39)15-22(31)41)25(26(36-37)17-2-4-19(29)5-3-17)20-6-7-24-33-23(16-40(24)35-20)34-27(42)18-8-9-32-21(30)14-18/h2-9,14,16H,10-13,15H2,1H3,(H2,31,41)(H,34,42)
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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...


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


(Homo sapiens (Human))
BDBM255240
PNG
(US9475817, 199)
Show SMILES Cn1nc(c(c1C1CCOCC1)-c1ccc2nc(NC(=O)c3cccc(c3)-c3cccnc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H28FN7O2/c1-40-32(22-13-16-43-17-14-22)30(31(39-40)21-7-9-26(34)10-8-21)27-11-12-29-36-28(20-41(29)38-27)37-33(42)24-5-2-4-23(18-24)25-6-3-15-35-19-25/h2-12,15,18-20,22H,13-14,16-17H2,1H3,(H,37,42)
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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...


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


(Homo sapiens (Human))
BDBM255241
PNG
(US9475817, 200)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCOCC1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C31H27FN8O2S/c1-18-29(43-31(34-18)21-9-13-33-14-10-21)30(41)36-24-17-40-25(35-24)8-7-23(37-40)26-27(19-3-5-22(32)6-4-19)38-39(2)28(26)20-11-15-42-16-12-20/h3-10,13-14,17,20H,11-12,15-16H2,1-2H3,(H,36,41)
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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...


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


(Homo sapiens (Human))
BDBM255193
PNG
(US9475817, 152)
Show SMILES COCC(=O)N1CCC(CC1)c1c(c(nn1C)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H28F2N8O3/c1-38-29(19-10-13-39(14-11-19)26(41)17-43-2)27(28(37-38)18-3-5-21(31)6-4-18)22-7-8-25-34-24(16-40(25)36-22)35-30(42)20-9-12-33-23(32)15-20/h3-9,12,15-16,19H,10-11,13-14,17H2,1-2H3,(H,35,42)
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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...


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


(Homo sapiens (Human))
BDBM255194
PNG
(US9475817, 153)
Show SMILES Cn1nc(c(c1C1CCN(CC1)C(=O)c1ccon1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25F2N9O3/c1-40-29(19-9-13-41(14-10-19)31(44)23-11-15-45-39-23)27(28(38-40)18-2-4-21(32)5-3-18)22-6-7-26-35-25(17-42(26)37-22)36-30(43)20-8-12-34-24(33)16-20/h2-8,11-12,15-17,19H,9-10,13-14H2,1H3,(H,36,43)
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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...


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


(Homo sapiens (Human))
BDBM255198
PNG
(US9475817, 157)
Show SMILES Cn1nc(c(c1C1CCN(CC(N)=O)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N9O2/c1-38-28(18-9-12-39(13-10-18)15-23(32)41)26(27(37-38)17-2-4-20(30)5-3-17)21-6-7-25-34-24(16-40(25)36-21)35-29(42)19-8-11-33-22(31)14-19/h2-8,11,14,16,18H,9-10,12-13,15H2,1H3,(H2,32,41)(H,35,42)
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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...


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


(Homo sapiens (Human))
BDBM255183
PNG
(US9475817, 142)
Show SMILES Cn1nc(c(c1N1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccnc(N)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN11O2/c1-39-30(41-13-11-40(12-14-41)17-22-9-15-44-38-22)27(28(37-39)19-2-4-21(31)5-3-19)23-6-7-26-34-25(18-42(26)36-23)35-29(43)20-8-10-33-24(32)16-20/h2-10,15-16,18H,11-14,17H2,1H3,(H2,32,33)(H,35,43)
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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...


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


(Homo sapiens (Human))
BDBM255160
PNG
(US9475817, 119)
Show SMILES Cn1nc(c(c1N1CCN(CCCF)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28F3N9O/c1-38-29(40-15-13-39(14-16-40)12-2-10-30)26(27(37-38)19-3-5-21(31)6-4-19)22-7-8-25-34-24(18-41(25)36-22)35-28(42)20-9-11-33-23(32)17-20/h3-9,11,17-18H,2,10,12-16H2,1H3,(H,35,42)
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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...


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


(Homo sapiens (Human))
BDBM255195
PNG
(US9475817, 154)
Show SMILES Cn1nc(c(c1C1CCN(CC1)C(=O)c1cncs1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25F2N9O2S/c1-40-29(19-9-12-41(13-10-19)31(44)23-15-34-17-45-23)27(28(39-40)18-2-4-21(32)5-3-18)22-6-7-26-36-25(16-42(26)38-22)37-30(43)20-8-11-35-24(33)14-20/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H,37,43)
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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...


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


(Homo sapiens (Human))
BDBM255242
PNG
(US9475817, 201)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCOCC1)-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C31H27FN8O2S/c1-18-29(43-31(34-18)21-4-3-13-33-16-21)30(41)36-24-17-40-25(35-24)10-9-23(37-40)26-27(19-5-7-22(32)8-6-19)38-39(2)28(26)20-11-14-42-15-12-20/h3-10,13,16-17,20H,11-12,14-15H2,1-2H3,(H,36,41)
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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...


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


(Homo sapiens (Human))
BDBM255195
PNG
(US9475817, 154)
Show SMILES Cn1nc(c(c1C1CCN(CC1)C(=O)c1cncs1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25F2N9O2S/c1-40-29(19-9-12-41(13-10-19)31(44)23-15-34-17-45-23)27(28(39-40)18-2-4-21(32)5-3-18)22-6-7-26-36-25(16-42(26)38-22)37-30(43)20-8-11-35-24(33)14-20/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H,37,43)
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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...


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


(Homo sapiens (Human))
BDBM255172
PNG
(US9475817, 131)
Show SMILES Cn1nc(c(c1N1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27FN10O2/c1-38-30(40-15-13-39(14-16-40)18-23-10-17-43-37-23)27(28(36-38)20-2-4-22(31)5-3-20)24-6-7-26-33-25(19-41(26)35-24)34-29(42)21-8-11-32-12-9-21/h2-12,17,19H,13-16,18H2,1H3,(H,34,42)
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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...


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


(Homo sapiens (Human))
BDBM255238
PNG
(US9475817, 197)
Show SMILES Cn1nc(c(c1C1CCOCC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H24FN7O2/c1-34-26(18-10-14-37-15-11-18)24(25(33-34)17-2-4-20(28)5-3-17)21-6-7-23-30-22(16-35(23)32-21)31-27(36)19-8-12-29-13-9-19/h2-9,12-13,16,18H,10-11,14-15H2,1H3,(H,31,36)
PDB

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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...


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


(Homo sapiens (Human))
BDBM255199
PNG
(US9475817, 158)
Show SMILES Cn1nc(c(c1C1CCN(C[C@@H](O)C(F)(F)F)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F5N8O2/c1-41-28(18-9-12-42(13-10-18)15-22(44)30(33,34)35)26(27(40-41)17-2-4-20(31)5-3-17)21-6-7-25-37-24(16-43(25)39-21)38-29(45)19-8-11-36-23(32)14-19/h2-8,11,14,16,18,22,44H,9-10,12-13,15H2,1H3,(H,38,45)/t22-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM255225
PNG
(US9475817, 184)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(CC(N)=O)CC1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C33H31FN10O2S/c1-19-31(47-33(37-19)22-9-13-36-14-10-22)32(46)39-26-18-44-27(38-26)8-7-24(40-44)28-29(20-3-5-23(34)6-4-20)41-42(2)30(28)21-11-15-43(16-12-21)17-25(35)45/h3-10,13-14,18,21H,11-12,15-17H2,1-2H3,(H2,35,45)(H,39,46)
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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...


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


(Homo sapiens (Human))
BDBM255224
PNG
(US9475817, 183)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(CCC#N)CC1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C34H31FN10OS/c1-21-32(47-34(38-21)24-10-15-37-16-11-24)33(46)40-27-20-45-28(39-27)9-8-26(41-45)29-30(22-4-6-25(35)7-5-22)42-43(2)31(29)23-12-18-44(19-13-23)17-3-14-36/h4-11,15-16,20,23H,3,12-13,17-19H2,1-2H3,(H,40,46)
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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...


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


(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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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...


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


(Homo sapiens (Human))
BDBM255200
PNG
(US9475817, 159)
Show SMILES Cn1nc(c(c1C1CCN(C[C@H](O)C(F)(F)F)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F5N8O2/c1-41-28(18-9-12-42(13-10-18)15-22(44)30(33,34)35)26(27(40-41)17-2-4-20(31)5-3-17)21-6-7-25-37-24(16-43(25)39-21)38-29(45)19-8-11-36-23(32)14-19/h2-8,11,14,16,18,22,44H,9-10,12-13,15H2,1H3,(H,38,45)/t22-/m0/s1
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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...


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


(Homo sapiens (Human))
BDBM255217
PNG
(US9475817, 176)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(Cc2ccon2)CC1)-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C35H31FN10O2S/c1-21-33(49-35(38-21)24-4-3-14-37-18-24)34(47)40-28-20-46-29(39-28)10-9-27(41-46)30-31(22-5-7-25(36)8-6-22)42-44(2)32(30)23-11-15-45(16-12-23)19-26-13-17-48-43-26/h3-10,13-14,17-18,20,23H,11-12,15-16,19H2,1-2H3,(H,40,47)
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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...


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


(Homo sapiens (Human))
BDBM255197
PNG
(US9475817, 156)
Show SMILES Cn1nc(c(c1C1CCN(CCC#N)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F2N9O/c1-39-29(20-10-15-40(16-11-20)14-2-12-33)27(28(38-39)19-3-5-22(31)6-4-19)23-7-8-26-35-25(18-41(26)37-23)36-30(42)21-9-13-34-24(32)17-21/h3-9,13,17-18,20H,2,10-11,14-16H2,1H3,(H,36,42)
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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...


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


(Homo sapiens (Human))
BDBM255156
PNG
(US9475817, 115)
Show SMILES Cn1nc(c(c1N1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H26F2N10O2/c1-39-30(41-13-11-40(12-14-41)17-22-9-15-44-38-22)27(28(37-39)19-2-4-21(31)5-3-19)23-6-7-26-34-25(18-42(26)36-23)35-29(43)20-8-10-33-24(32)16-20/h2-10,15-16,18H,11-14,17H2,1H3,(H,35,43)
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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...


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


(Homo sapiens (Human))
BDBM255196
PNG
(US9475817, 155)
Show SMILES Cn1nc(c(c1C1CCN(CCCF)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H29F3N8O/c1-39-29(20-10-15-40(16-11-20)14-2-12-31)27(28(38-39)19-3-5-22(32)6-4-19)23-7-8-26-35-25(18-41(26)37-23)36-30(42)21-9-13-34-24(33)17-21/h3-9,13,17-18,20H,2,10-12,14-16H2,1H3,(H,36,42)
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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...


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


(Homo sapiens (Human))
BDBM255204
PNG
(US9475817, 163)
Show SMILES Cn1nc(c(c1C1CCN(CC(N)=O)CC1)-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN10O3/c1-41-32(22-9-12-42(13-10-22)19-26(35)45)30(31(40-41)21-2-4-24(34)5-3-21)25-6-7-28-37-27(20-44(28)39-25)38-33(46)23-8-11-36-29(18-23)43-14-16-47-17-15-43/h2-8,11,18,20,22H,9-10,12-17,19H2,1H3,(H2,35,45)(H,38,46)
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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...


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


(Homo sapiens (Human))
BDBM255245
PNG
(US9475817, 204)
Show SMILES Cn1nc(c(c1-c1ccncc1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H19FN8O/c1-35-26(18-8-12-29-13-9-18)24(25(34-35)17-2-4-20(28)5-3-17)21-6-7-23-31-22(16-36(23)33-21)32-27(37)19-10-14-30-15-11-19/h2-16H,1H3,(H,32,37)
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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...


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


(Homo sapiens (Human))
BDBM255203
PNG
(US9475817, 162)
Show SMILES Cn1nc(c(c1C1CCN(CCCF)CC1)-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H37F2N9O2/c1-42-33(24-10-15-43(16-11-24)14-2-12-35)31(32(41-42)23-3-5-26(36)6-4-23)27-7-8-29-38-28(22-45(29)40-27)39-34(46)25-9-13-37-30(21-25)44-17-19-47-20-18-44/h3-9,13,21-22,24H,2,10-12,14-20H2,1H3,(H,39,46)
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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...


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


(Homo sapiens (Human))
BDBM255163
PNG
(US9475817, 122)
Show SMILES Cn1nc(c(c1N1CCN(CC1)C(=O)C1CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F2N9O2/c1-38-29(39-12-14-40(15-13-39)30(43)19-2-3-19)26(27(37-38)18-4-6-21(31)7-5-18)22-8-9-25-34-24(17-41(25)36-22)35-28(42)20-10-11-33-23(32)16-20/h4-11,16-17,19H,2-3,12-15H2,1H3,(H,35,42)
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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...


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


(Homo sapiens (Human))
BDBM255187
PNG
(US9475817, 146)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1N1CCOCC1)-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C30H26FN9O2S/c1-18-27(43-29(33-18)20-4-3-11-32-16-20)28(41)35-23-17-40-24(34-23)10-9-22(36-40)25-26(19-5-7-21(31)8-6-19)37-38(2)30(25)39-12-14-42-15-13-39/h3-11,16-17H,12-15H2,1-2H3,(H,35,41)
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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...


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


(Homo sapiens (Human))
BDBM255239
PNG
(US9475817, 198)
Show SMILES Cn1nc(c(c1C1CCOCC1)-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FN8O3/c1-38-30(21-9-14-42-15-10-21)28(29(37-38)20-2-4-23(32)5-3-20)24-6-7-26-34-25(19-40(26)36-24)35-31(41)22-8-11-33-27(18-22)39-12-16-43-17-13-39/h2-8,11,18-19,21H,9-10,12-17H2,1H3,(H,35,41)
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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...


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


(Homo sapiens (Human))
BDBM255192
PNG
(US9475817, 151)
Show SMILES Cn1nc(c(c1C1CCN(CC1)C(=O)CC(F)(F)F)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25F5N8O2/c1-41-28(18-9-12-42(13-10-18)25(44)15-30(33,34)35)26(27(40-41)17-2-4-20(31)5-3-17)21-6-7-24-37-23(16-43(24)39-21)38-29(45)19-8-11-36-22(32)14-19/h2-8,11,14,16,18H,9-10,12-13,15H2,1H3,(H,38,45)
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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...


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


(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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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...


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


(Homo sapiens (Human))
BDBM255243
PNG
(US9475817, 202)
Show SMILES Cn1nc(c(c1-c1ccncc1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H18F2N8O/c1-36-26(17-8-11-30-12-9-17)24(25(35-36)16-2-4-19(28)5-3-16)20-6-7-23-32-22(15-37(23)34-20)33-27(38)18-10-13-31-21(29)14-18/h2-15H,1H3,(H,33,38)
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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...


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


(Homo sapiens (Human))
BDBM255166
PNG
(US9475817, 125)
Show SMILES Cn1nc(c(c1N1CCN(CCC#N)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H26F2N10O/c1-38-29(40-15-13-39(14-16-40)12-2-10-32)26(27(37-38)19-3-5-21(30)6-4-19)22-7-8-25-34-24(18-41(25)36-22)35-28(42)20-9-11-33-23(31)17-20/h3-9,11,17-18H,2,12-16H2,1H3,(H,35,42)
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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...


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


(Homo sapiens (Human))
BDBM255173
PNG
(US9475817, 132)
Show SMILES Cn1nc(c(c1N1CCN(CC1)C(=O)CC(F)(F)F)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H25F4N9O2/c1-39-28(41-14-12-40(13-15-41)24(43)16-29(31,32)33)25(26(38-39)18-2-4-20(30)5-3-18)21-6-7-23-35-22(17-42(23)37-21)36-27(44)19-8-10-34-11-9-19/h2-11,17H,12-16H2,1H3,(H,36,44)
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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...


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


(Homo sapiens (Human))
BDBM255154
PNG
(US9475817, 113 | US9475817, 148)
Show SMILES Cn1nc(c(c1N1CCNCC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H23F2N9O/c1-35-26(36-12-10-29-11-13-36)23(24(34-35)16-2-4-18(27)5-3-16)19-6-7-22-31-21(15-37(22)33-19)32-25(38)17-8-9-30-20(28)14-17/h2-9,14-15,29H,10-13H2,1H3,(H,32,38)
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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...


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


(Homo sapiens (Human))
BDBM255204
PNG
(US9475817, 163)
Show SMILES Cn1nc(c(c1C1CCN(CC(N)=O)CC1)-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN10O3/c1-41-32(22-9-12-42(13-10-22)19-26(35)45)30(31(40-41)21-2-4-24(34)5-3-21)25-6-7-28-37-27(20-44(28)39-25)38-33(46)23-8-11-36-29(18-23)43-14-16-47-17-15-43/h2-8,11,18,20,22H,9-10,12-17,19H2,1H3,(H2,35,45)(H,38,46)
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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...


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


(Homo sapiens (Human))
BDBM255190
PNG
(US9475817, 149)
Show SMILES Cn1nc(c(c1C1CCN(CCC(F)(F)F)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F5N8O/c1-41-28(19-9-13-42(14-10-19)15-11-30(33,34)35)26(27(40-41)18-2-4-21(31)5-3-18)22-6-7-25-37-24(17-43(25)39-22)38-29(44)20-8-12-36-23(32)16-20/h2-8,12,16-17,19H,9-11,13-15H2,1H3,(H,38,44)
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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...


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


(Homo sapiens (Human))
BDBM255157
PNG
(US9475817, 116)
Show SMILES CN1CCN(CC1)c1c(c(nn1C)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C27H25F2N9O/c1-35-11-13-37(14-12-35)27-24(25(34-36(27)2)17-3-5-19(28)6-4-17)20-7-8-23-31-22(16-38(23)33-20)32-26(39)18-9-10-30-21(29)15-18/h3-10,15-16H,11-14H2,1-2H3,(H,32,39)
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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...


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


(Homo sapiens (Human))
BDBM255218
PNG
(US9475817, 177)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(CCC(F)(F)F)CC1)-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C34H31F4N9OS/c1-20-31(49-33(40-20)23-4-3-14-39-18-23)32(48)42-26-19-47-27(41-26)10-9-25(43-47)28-29(21-5-7-24(35)8-6-21)44-45(2)30(28)22-11-15-46(16-12-22)17-13-34(36,37)38/h3-10,14,18-19,22H,11-13,15-17H2,1-2H3,(H,42,48)
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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...


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


(Homo sapiens (Human))
BDBM255188
PNG
(US9475817, 147)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1N1CCOCC1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C30H26FN9O2S/c1-18-27(43-29(33-18)20-9-11-32-12-10-20)28(41)35-23-17-40-24(34-23)8-7-22(36-40)25-26(19-3-5-21(31)6-4-19)37-38(2)30(25)39-13-15-42-16-14-39/h3-12,17H,13-16H2,1-2H3,(H,35,41)
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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...


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


(Homo sapiens (Human))
BDBM255161
PNG
(US9475817, 120)
Show SMILES COCCN1CCN(CC1)c1c(c(nn1C)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H29F2N9O2/c1-37-29(39-13-11-38(12-14-39)15-16-42-2)26(27(36-37)19-3-5-21(30)6-4-19)22-7-8-25-33-24(18-40(25)35-22)34-28(41)20-9-10-32-23(31)17-20/h3-10,17-18H,11-16H2,1-2H3,(H,34,41)
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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...


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


(Homo sapiens (Human))
BDBM255184
PNG
(US9475817, 143 | US9475817, 144)
Show SMILES Cn1nc(c(c1N1CCOCC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H22F2N8O2/c1-34-26(35-10-12-38-13-11-35)23(24(33-34)16-2-4-18(27)5-3-16)19-6-7-22-30-21(15-36(22)32-19)31-25(37)17-8-9-29-20(28)14-17/h2-9,14-15H,10-13H2,1H3,(H,31,37)
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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...


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


(Homo sapiens (Human))
BDBM255159
PNG
(US9475817, 118)
Show SMILES COc1cc(ccn1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1N1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN9O2/c1-35-27(36-13-11-29-12-14-36)24(25(34-35)17-3-5-19(28)6-4-17)20-7-8-22-31-21(16-37(22)33-20)32-26(38)18-9-10-30-23(15-18)39-2/h3-10,15-16,29H,11-14H2,1-2H3,(H,32,38)
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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...


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


(Homo sapiens (Human))
BDBM255177
PNG
(US9475817, 136)
Show SMILES Cn1nc(c(c1N1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H34FN11O3/c1-42-34(45-13-11-43(12-14-45)21-26-9-17-49-41-26)31(32(40-42)23-2-4-25(35)5-3-23)27-6-7-29-37-28(22-46(29)39-27)38-33(47)24-8-10-36-30(20-24)44-15-18-48-19-16-44/h2-10,17,20,22H,11-16,18-19,21H2,1H3,(H,38,47)
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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...


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


(Homo sapiens (Human))
BDBM255210
PNG
(US9475817, 169)
Show SMILES Cn1nc(c(c1C1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28FN9O2/c1-39-30(21-10-15-40(16-11-21)18-24-12-17-43-38-24)28(29(37-39)20-2-4-23(32)5-3-20)25-6-7-27-34-26(19-41(27)36-25)35-31(42)22-8-13-33-14-9-22/h2-9,12-14,17,19,21H,10-11,15-16,18H2,1H3,(H,35,42)
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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...


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