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Compile Data Set for Download or QSAR

Found 474 hits of ph data with Target = 'Casein kinase I 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 Epsilon


(Homo sapiens (Human))
BDBM274907
PNG
(3-(2-(2- Fluoroisonicotinamido) imidazo[1,2- b]pyr...)
Show SMILES CC1(CC1)NC(=O)N1CCn2c(C1)nc(c2-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H25F2N9O2/c1-29(9-10-29)36-28(42)38-12-13-39-24(16-38)35-25(17-2-4-19(30)5-3-17)26(39)20-6-7-23-33-22(15-40(23)37-20)34-27(41)18-8-11-32-21(31)14-18/h2-8,11,14-15H,9-10,12-13,16H2,1H3,(H,34,41)(H,36,42)
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n/an/a 4.5n/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 Epsilon


(Homo sapiens (Human))
BDBM274908
PNG
(3-(2-(2- Fluoroisonicotinamido) imidazo[1,2- b]pyr...)
Show SMILES Fc1ccc(cc1)-c1nc2CN(CCn2c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)C(=O)NCCC(F)(F)F
Show InChI InChI=1S/C28H22F5N9O2/c29-18-3-1-16(2-4-18)24-25(41-12-11-40(15-23(41)38-24)27(44)35-10-8-28(31,32)33)19-5-6-22-36-21(14-42(22)39-19)37-26(43)17-7-9-34-20(30)13-17/h1-7,9,13-14H,8,10-12,15H2,(H,35,44)(H,37,43)
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n/an/a 6.40n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274909
PNG
(3-(2-(2- Fluoroisonicotinamido) imidazo[1,2- b]pyr...)
Show SMILES Fc1ccc(cc1)-c1nc2CN(CCn2c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)C(=O)NC1(CC1)C(F)(F)F
Show InChI InChI=1S/C29H22F5N9O2/c30-18-3-1-16(2-4-18)24-25(42-12-11-41(15-23(42)38-24)27(45)39-28(8-9-28)29(32,33)34)19-5-6-22-36-21(14-43(22)40-19)37-26(44)17-7-10-35-20(31)13-17/h1-7,10,13-14H,8-9,11-12,15H2,(H,37,44)(H,39,45)
PDB

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n/an/a 5.10n/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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274432
PNG
(N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
Show InChI InChI=1S/C26H23FN8O/c27-19-3-1-17(2-4-19)24-25(34(16-30-24)20-9-13-29-14-10-20)21-5-6-23-31-22(15-35(23)33-21)32-26(36)18-7-11-28-12-8-18/h1-8,11-12,15-16,20,29H,9-10,13-14H2,(H,32,36)
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n/an/a 0.943n/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 Epsilon


(Homo sapiens (Human))
BDBM274433
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN8O/c1-34-14-10-21(11-15-34)35-17-30-25(18-2-4-20(28)5-3-18)26(35)22-6-7-24-31-23(16-36(24)33-22)32-27(37)19-8-12-29-13-9-19/h2-9,12-13,16-17,21H,10-11,14-15H2,1H3,(H,32,37)
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 Epsilon


(Homo sapiens (Human))
BDBM274434
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazol-3- ylmethy...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
Show InChI InChI=1S/C30H26FN9O2/c31-22-3-1-20(2-4-22)28-29(39(19-33-28)24-9-14-38(15-10-24)17-23-11-16-42-37-23)25-5-6-27-34-26(18-40(27)36-25)35-30(41)21-7-12-32-13-8-21/h1-8,11-13,16,18-19,24H,9-10,14-15,17H2,(H,35,41)
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n/an/a 0.298n/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 Epsilon


(Homo sapiens (Human))
BDBM274435
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluoropro...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCC(F)(F)F)CC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
Show InChI InChI=1S/C29H26F4N8O/c30-21-3-1-19(2-4-21)26-27(40(18-35-26)22-9-14-39(15-10-22)16-11-29(31,32)33)23-5-6-25-36-24(17-41(25)38-23)37-28(42)20-7-12-34-13-8-20/h1-8,12-13,17-18,22H,9-11,14-16H2,(H,37,42)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274436
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbony...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
Show InChI InChI=1S/C30H24FN9O3/c31-21-3-1-19(2-4-21)27-28(39(18-33-27)22-9-14-38(15-10-22)30(42)24-11-16-43-37-24)23-5-6-26-34-25(17-40(26)36-23)35-29(41)20-7-12-32-13-8-20/h1-8,11-13,16-18,22H,9-10,14-15H2,(H,35,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274437
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluoropro...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CC(F)(F)F)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
Show InChI InChI=1S/C29H24F4N8O2/c30-20-3-1-18(2-4-20)26-27(40(17-35-26)21-9-13-39(14-10-21)25(42)15-29(31,32)33)22-5-6-24-36-23(16-41(24)38-22)37-28(43)19-7-11-34-12-8-19/h1-8,11-12,16-17,21H,9-10,13-15H2,(H,37,43)
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 Epsilon


(Homo sapiens (Human))
BDBM274438
PNG
((R)—N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trif...)
Show SMILES O[C@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N8O2/c30-20-3-1-18(2-4-20)26-27(40(17-35-26)21-9-13-39(14-10-21)15-23(42)29(31,32)33)22-5-6-25-36-24(16-41(25)38-22)37-28(43)19-7-11-34-12-8-19/h1-8,11-12,16-17,21,23,42H,9-10,13-15H2,(H,37,43)/t23-/m1/s1
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 Epsilon


(Homo sapiens (Human))
BDBM274439
PNG
((S)-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluor...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N8O2/c30-20-3-1-18(2-4-20)26-27(40(17-35-26)21-9-13-39(14-10-21)15-23(42)29(31,32)33)22-5-6-25-36-24(16-41(25)38-22)37-28(43)19-7-11-34-12-8-19/h1-8,11-12,16-17,21,23,42H,9-10,13-15H2,(H,37,43)/t23-/m0/s1
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 Epsilon


(Homo sapiens (Human))
BDBM274440
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-y...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C26H22F2N8O/c27-18-3-1-16(2-4-18)24-25(35(15-31-24)19-8-10-29-11-9-19)20-5-6-23-32-22(14-36(23)34-20)33-26(37)17-7-12-30-21(28)13-17/h1-7,12-15,19,29H,8-11H2,(H,33,37)
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 Epsilon


(Homo sapiens (Human))
BDBM274441
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trif...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCC(F)(F)F)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H25F5N8O/c30-20-3-1-18(2-4-20)26-27(41(17-36-26)21-8-12-40(13-9-21)14-10-29(32,33)34)22-5-6-25-37-24(16-42(25)39-22)38-28(43)19-7-11-35-23(31)15-19/h1-7,11,15-17,21H,8-10,12-14H2,(H,38,43)
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 Epsilon


(Homo sapiens (Human))
BDBM274442
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1- methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H24F2N8O/c1-35-12-9-20(10-13-35)36-16-31-25(17-2-4-19(28)5-3-17)26(36)21-6-7-24-32-23(15-37(24)34-21)33-27(38)18-8-11-30-22(29)14-18/h2-8,11,14-16,20H,9-10,12-13H2,1H3,(H,33,38)
PDB

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n/an/a 0.654n/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 Epsilon


(Homo sapiens (Human))
BDBM274443
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazol- 3-ylmethy...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H25F2N9O2/c31-21-3-1-19(2-4-21)28-29(40(18-34-28)23-8-12-39(13-9-23)16-22-10-14-43-38-22)24-5-6-27-35-26(17-41(27)37-24)36-30(42)20-7-11-33-25(32)15-20/h1-7,10-11,14-15,17-18,23H,8-9,12-13,16H2,(H,36,42)
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 Epsilon


(Homo sapiens (Human))
BDBM274444
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...)
Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N8O2/c29-20-3-1-18(2-4-20)26-27(37(17-32-26)21-8-11-36(12-9-21)13-14-39)22-5-6-25-33-24(16-38(25)35-22)34-28(40)19-7-10-31-23(30)15-19/h1-7,10,15-17,21,39H,8-9,11-14H2,(H,34,40)
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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 Epsilon


(Homo sapiens (Human))
BDBM274445
PNG
(N-(6-(1-(1-(1,2,5-oxadiazole-3- carbonyl)piperidin...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3cnon3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H24F2N10O2/c30-20-3-1-18(2-4-20)27-28(40(17-33-27)22-8-11-39(12-9-22)15-21-14-34-43-38-21)23-5-6-26-35-25(16-41(26)37-23)36-29(42)19-7-10-32-24(31)13-19/h1-7,10,13-14,16-17,22H,8-9,11-12,15H2,(H,36,42)
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 Epsilon


(Homo sapiens (Human))
BDBM274446
PNG
(2-fluoro-N-(6-(1-(1-(4- fluorobenzyI)piperidin-4-y...)
Show SMILES Fc1ccc(CN2CCC(CC2)n2cnc(c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H27F3N8O/c34-24-5-1-21(2-6-24)18-42-15-12-26(13-16-42)43-20-38-31(22-3-7-25(35)8-4-22)32(43)27-9-10-30-39-29(19-44(30)41-27)40-33(45)23-11-14-37-28(36)17-23/h1-11,14,17,19-20,26H,12-13,15-16,18H2,(H,40,45)
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 Epsilon


(Homo sapiens (Human))
BDBM274447
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (pyridin-4...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccncc3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C32H27F2N9O/c33-24-3-1-22(2-4-24)30-31(42(20-37-30)25-10-15-41(16-11-25)18-21-7-12-35-13-8-21)26-5-6-29-38-28(19-43(29)40-26)39-32(44)23-9-14-36-27(34)17-23/h1-9,12-14,17,19-20,25H,10-11,15-16,18H2,(H,39,44)
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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 Epsilon


(Homo sapiens (Human))
BDBM274448
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (oxazol-4-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3cocn3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H25F2N9O2/c31-21-3-1-19(2-4-21)28-29(40(17-34-28)23-8-11-39(12-9-23)14-22-16-43-18-35-22)24-5-6-27-36-26(15-41(27)38-24)37-30(42)20-7-10-33-25(32)13-20/h1-7,10,13,15-18,23H,8-9,11-12,14H2,(H,37,42)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274449
PNG
(N-(6-(1-(1-((1H-imidazol-2- yl)methyl)piperidin-4-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ncc[nH]3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H26F2N10O/c31-21-3-1-19(2-4-21)28-29(41(18-36-28)22-8-13-40(14-9-22)16-25-34-11-12-35-25)23-5-6-27-37-26(17-42(27)39-23)38-30(43)20-7-10-33-24(32)15-20/h1-7,10-12,15,17-18,22H,8-9,13-14,16H2,(H,34,35)(H,38,43)
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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 Epsilon


(Homo sapiens (Human))
BDBM274451
PNG
(N-(6-(1-(1-((1H-pyrazol-3- yl)methyl)piperidin-4-y...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3cc[nH]n3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H26F2N10O/c31-21-3-1-19(2-4-21)28-29(41(18-34-28)23-9-13-40(14-10-23)16-22-8-12-35-38-22)24-5-6-27-36-26(17-42(27)39-24)37-30(43)20-7-11-33-25(32)15-20/h1-8,11-12,15,17-18,23H,9-10,13-14,16H2,(H,35,38)(H,37,43)
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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 Epsilon


(Homo sapiens (Human))
BDBM274452
PNG
(N-(6-(1-(1-((1H-pyrazol-5- yl)methyl)piperidin-4-y...)
Show SMILES Cc1nn(C)cc1CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H30F2N10O/c1-20-23(16-41(2)39-20)17-42-13-10-25(11-14-42)43-19-36-30(21-3-5-24(33)6-4-21)31(43)26-7-8-29-37-28(18-44(29)40-26)38-32(45)22-9-12-35-27(34)15-22/h3-9,12,15-16,18-19,25H,10-11,13-14,17H2,1-2H3,(H,38,45)
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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 Epsilon


(Homo sapiens (Human))
BDBM274453
PNG
(N-(6-(1-(1-((1,3-dimethyl-1H-pyrazol-4- yl)methyl)...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3c[nH]cn3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H26F2N10O/c31-21-3-1-19(2-4-21)28-29(41(18-36-28)23-8-11-40(12-9-23)15-22-14-33-17-35-22)24-5-6-27-37-26(16-42(27)39-24)38-30(43)20-7-10-34-25(32)13-20/h1-7,10,13-14,16-18,23H,8-9,11-12,15H2,(H,33,35)(H,38,43)
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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 Epsilon


(Homo sapiens (Human))
BDBM274454
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-morphol...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C32H33F2N9O2/c33-24-3-1-22(2-4-24)30-31(42(21-36-30)25-8-11-40(12-9-25)13-14-41-15-17-45-18-16-41)26-5-6-29-37-28(20-43(29)39-26)38-32(44)23-7-10-35-27(34)19-23/h1-7,10,19-21,25H,8-9,11-18H2,(H,38,44)
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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 Epsilon


(Homo sapiens (Human))
BDBM274455
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- ((5-methyl...)
Show SMILES Cc1cc(CN2CCC(CC2)n2cnc(c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)-c2ccc(F)cc2)no1
Show InChI InChI=1S/C31H27F2N9O2/c1-19-14-23(39-44-19)16-40-12-9-24(10-13-40)41-18-35-29(20-2-4-22(32)5-3-20)30(41)25-6-7-28-36-27(17-42(28)38-25)37-31(43)21-8-11-34-26(33)15-21/h2-8,11,14-15,17-18,24H,9-10,12-13,16H2,1H3,(H,37,43)
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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 Epsilon


(Homo sapiens (Human))
BDBM274457
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (3-(methyl...)
Show SMILES CSCCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N8OS/c1-42-16-2-13-38-14-10-23(11-15-38)39-19-34-28(20-3-5-22(31)6-4-20)29(39)24-7-8-27-35-26(18-40(27)37-24)36-30(41)21-9-12-33-25(32)17-21/h3-9,12,17-19,23H,2,10-11,13-16H2,1H3,(H,36,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274458
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- ((1-methyl...)
Show SMILES Cn1ccnc1CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28F2N10O/c1-40-15-12-35-28(40)18-41-13-9-23(10-14-41)42-19-36-29(20-2-4-22(32)5-3-20)30(42)24-6-7-27-37-26(17-43(27)39-24)38-31(44)21-8-11-34-25(33)16-21/h2-8,11-12,15-17,19,23H,9-10,13-14,18H2,1H3,(H,38,44)
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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 Epsilon


(Homo sapiens (Human))
BDBM274459
PNG
(N-(6-(1-(1- (cyclopropylmethyl)piperidin-4-yl)-4- ...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC3CC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H28F2N8O/c31-22-5-3-20(4-6-22)28-29(39(18-34-28)23-10-13-38(14-11-23)16-19-1-2-19)24-7-8-27-35-26(17-40(27)37-24)36-30(41)21-9-12-33-25(32)15-21/h3-9,12,15,17-19,23H,1-2,10-11,13-14,16H2,(H,36,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274460
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (oxazol-2-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ncco3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H25F2N9O2/c31-21-3-1-19(2-4-21)28-29(40(18-35-28)22-8-12-39(13-9-22)17-27-34-11-14-43-27)23-5-6-26-36-25(16-41(26)38-23)37-30(42)20-7-10-33-24(32)15-20/h1-7,10-11,14-16,18,22H,8-9,12-13,17H2,(H,37,42)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274461
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- ((6-hydrox...)
Show SMILES Oc1ccc(CN2CCC(CC2)n2cnc(c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C32H27F2N9O2/c33-23-4-2-21(3-5-23)30-31(42(19-37-30)24-10-13-41(14-11-24)17-20-1-8-29(44)36-16-20)25-6-7-28-38-27(18-43(28)40-25)39-32(45)22-9-12-35-26(34)15-22/h1-9,12,15-16,18-19,24H,10-11,13-14,17H2,(H,36,44)(H,39,45)
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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 Epsilon


(Homo sapiens (Human))
BDBM274462
PNG
(N-(6-(1-(1-((1S,4R)- bicyclo[2.2.1]heptan-2- ylmet...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC3C[C@@H]4CC[C@H]3C4)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C34H34F2N8O/c35-26-5-3-22(4-6-26)32-33(43(20-38-32)27-10-13-42(14-11-27)18-25-16-21-1-2-23(25)15-21)28-7-8-31-39-30(19-44(31)41-28)40-34(45)24-9-12-37-29(36)17-24/h3-9,12,17,19-21,23,25,27H,1-2,10-11,13-16,18H2,(H,40,45)/t21-,23+,25?/m1/s1
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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 Epsilon


(Homo sapiens (Human))
BDBM274463
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- isopentylp...)
Show SMILES CC(C)CCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H32F2N8O/c1-20(2)10-14-39-15-11-24(12-16-39)40-19-35-29(21-3-5-23(32)6-4-21)30(40)25-7-8-28-36-27(18-41(28)38-25)37-31(42)22-9-13-34-26(33)17-22/h3-9,13,17-20,24H,10-12,14-16H2,1-2H3,(H,37,42)
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 Epsilon


(Homo sapiens (Human))
BDBM274464
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(3-fluoropr...)
Show SMILES FCCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27F3N8O/c30-11-1-13-38-14-9-22(10-15-38)39-18-34-27(19-2-4-21(31)5-3-19)28(39)23-6-7-26-35-25(17-40(26)37-23)36-29(41)20-8-12-33-24(32)16-20/h2-8,12,16-18,22H,1,9-11,13-15H2,(H,36,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274465
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-methoxy...)
Show SMILES COCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28F2N8O2/c1-41-15-14-37-12-9-22(10-13-37)38-18-33-27(19-2-4-21(30)5-3-19)28(38)23-6-7-26-34-25(17-39(26)36-23)35-29(40)20-8-11-32-24(31)16-20/h2-8,11,16-18,22H,9-10,12-15H2,1H3,(H,35,40)
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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 Epsilon


(Homo sapiens (Human))
BDBM274466
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2,2,2-tri...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC(F)(F)F)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C28H23F5N8O/c29-19-3-1-17(2-4-19)25-26(40(16-35-25)20-8-11-39(12-9-20)15-28(31,32)33)21-5-6-24-36-23(14-41(24)38-21)37-27(42)18-7-10-34-22(30)13-18/h1-7,10,13-14,16,20H,8-9,11-12,15H2,(H,37,42)
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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 Epsilon


(Homo sapiens (Human))
BDBM274467
PNG
(N-(6-(1-(1-(2-cyanoethyl)piperidin-4-yl)-4-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC[N+]#[C-])CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H25F2N9O/c1-32-12-15-38-13-9-22(10-14-38)39-18-34-27(19-2-4-21(30)5-3-19)28(39)23-6-7-26-35-25(17-40(26)37-23)36-29(41)20-8-11-33-24(31)16-20/h2-8,11,16-18,22H,9-10,12-15H2,(H,36,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274468
PNG
((R)-2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-...)
Show SMILES O[C@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F5N8O2/c30-19-3-1-17(2-4-19)26-27(41(16-36-26)20-8-11-40(12-9-20)14-22(43)29(32,33)34)21-5-6-25-37-24(15-42(25)39-21)38-28(44)18-7-10-35-23(31)13-18/h1-7,10,13,15-16,20,22,43H,8-9,11-12,14H2,(H,38,44)/t22-/m1/s1
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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 Epsilon


(Homo sapiens (Human))
BDBM274469
PNG
((S)-2-fluoro-N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F5N8O2/c30-19-3-1-17(2-4-19)26-27(41(16-36-26)20-8-11-40(12-9-20)14-22(43)29(32,33)34)21-5-6-25-37-24(15-42(25)39-21)38-28(44)18-7-10-35-23(31)13-18/h1-7,10,13,15-16,20,22,43H,8-9,11-12,14H2,(H,38,44)/t22-/m0/s1
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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 Epsilon


(Homo sapiens (Human))
BDBM274470
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H23F2N9O3/c31-20-3-1-18(2-4-20)27-28(40(17-34-27)21-8-12-39(13-9-21)30(43)23-10-14-44-38-23)22-5-6-26-35-25(16-41(26)37-22)36-29(42)19-7-11-33-24(32)15-19/h1-7,10-11,14-17,21H,8-9,12-13H2,(H,36,42)
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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 Epsilon


(Homo sapiens (Human))
BDBM274471
PNG
(N-(6-(1-(1-(2-aminoacetyl)piperidin-4- yl)-4-(4-fl...)
Show SMILES NCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H25F2N9O2/c29-19-3-1-17(2-4-19)26-27(38(16-33-26)20-8-11-37(12-9-20)25(40)14-31)21-5-6-24-34-23(15-39(24)36-21)35-28(41)18-7-10-32-22(30)13-18/h1-7,10,13,15-16,20H,8-9,11-12,14,31H2,(H,35,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274472
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...)
Show SMILES OCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H24F2N8O3/c29-19-3-1-17(2-4-19)26-27(37(16-32-26)20-8-11-36(12-9-20)25(40)15-39)21-5-6-24-33-23(14-38(24)35-21)34-28(41)18-7-10-31-22(30)13-18/h1-7,10,13-14,16,20,39H,8-9,11-12,15H2,(H,34,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274473
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (3,3,3-tri...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CC(F)(F)F)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H23F5N8O2/c30-19-3-1-17(2-4-19)26-27(41(16-36-26)20-8-11-40(12-9-20)25(43)14-29(32,33)34)21-5-6-24-37-23(15-42(24)39-21)38-28(44)18-7-10-35-22(31)13-18/h1-7,10,13,15-16,20H,8-9,11-12,14H2,(H,38,44)
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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 Epsilon


(Homo sapiens (Human))
BDBM274474
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (oxazole-4...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2cocn2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H23F2N9O3/c31-20-3-1-18(2-4-20)27-28(40(16-34-27)21-8-11-39(12-9-21)30(43)23-15-44-17-35-23)22-5-6-26-36-25(14-41(26)38-22)37-29(42)19-7-10-33-24(32)13-19/h1-7,10,13-17,21H,8-9,11-12H2,(H,37,42)
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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 Epsilon


(Homo sapiens (Human))
BDBM274475
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (thiazole-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2cscn2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H23F2N9O2S/c31-20-3-1-18(2-4-20)27-28(40(16-34-27)21-8-11-39(12-9-21)30(43)23-15-44-17-35-23)22-5-6-26-36-25(14-41(26)38-22)37-29(42)19-7-10-33-24(32)13-19/h1-7,10,13-17,21H,8-9,11-12H2,(H,37,42)
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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 Epsilon


(Homo sapiens (Human))
BDBM274476
PNG
(N-(6-(1-(1-(5-cyclopropylisoxazole-3- carbonyl)pip...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2cc(on2)C2CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C33H27F2N9O3/c34-22-5-3-20(4-6-22)30-31(24-7-8-29-38-28(17-44(29)40-24)39-32(45)21-9-12-36-27(35)15-21)43(18-37-30)23-10-13-42(14-11-23)33(46)25-16-26(47-41-25)19-1-2-19/h3-9,12,15-19,23H,1-2,10-11,13-14H2,(H,39,45)
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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 Epsilon


(Homo sapiens (Human))
BDBM274477
PNG
(N-(6-(1-(1-(2-cyanoacetyl)piperidin-4- yl)-4-(4-fl...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C[N+]#[C-])c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H23F2N9O2/c1-32-15-26(41)38-12-9-21(10-13-38)39-17-34-27(18-2-4-20(30)5-3-18)28(39)22-6-7-25-35-24(16-40(25)37-22)36-29(42)19-8-11-33-23(31)14-19/h2-8,11,14,16-17,21H,9-10,12-13,15H2,(H,36,42)
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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 Epsilon


(Homo sapiens (Human))
BDBM274478
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-methoxy...)
Show SMILES COCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H26F2N8O3/c1-42-16-26(40)37-12-9-21(10-13-37)38-17-33-27(18-2-4-20(30)5-3-18)28(38)22-6-7-25-34-24(15-39(25)36-22)35-29(41)19-8-11-32-23(31)14-19/h2-8,11,14-15,17,21H,9-10,12-13,16H2,1H3,(H,35,41)
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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 Epsilon


(Homo sapiens (Human))
BDBM274479
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (isoxazole...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccno2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C30H23F2N9O3/c31-20-3-1-18(2-4-20)27-28(40(17-34-27)21-9-13-39(14-10-21)30(43)23-8-12-35-44-23)22-5-6-26-36-25(16-41(26)38-22)37-29(42)19-7-11-33-24(32)15-19/h1-8,11-12,15-17,21H,9-10,13-14H2,(H,37,42)
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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 Epsilon


(Homo sapiens (Human))
BDBM274480
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (1-(triflu...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2(CCC2)C(F)(F)F)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C32H27F5N8O2/c33-21-4-2-19(3-5-21)27-28(23-6-7-26-40-25(17-45(26)42-23)41-29(46)20-8-13-38-24(34)16-20)44(18-39-27)22-9-14-43(15-10-22)30(47)31(11-1-12-31)32(35,36)37/h2-8,13,16-18,22H,1,9-12,14-15H2,(H,41,46)
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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
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