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Found 416 hits of Enz. Inhib. data with enzyme = 'Casein kinase I epsilon' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302657
PNG
(N5-(4-Cyano-3- fluorophenyl)-2-(3-fluoro-5- methyl...)
Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C22H18F2N6O2/c1-12-7-13(9-14(23)8-12)20-19(21(25)31)18-11-29(5-6-30(18)28-20)22(32)27-15-3-4-17(26-2)16(24)10-15/h3-4,7-10H,5-6,11H2,1H3,(H2,25,31)(H,27,32)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302658
PNG
(N5-(Benzo[d]thiazol-6-yl)- 2-(3-fluoro-5- methylph...)
Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2ncsc2c1
Show InChI InChI=1S/C22H19FN6O2S/c1-12-6-13(8-14(23)7-12)20-19(21(24)30)17-10-28(4-5-29(17)27-20)22(31)26-15-2-3-16-18(9-15)32-11-25-16/h2-3,6-9,11H,4-5,10H2,1H3,(H2,24,30)(H,26,31)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302659
PNG
(N5-(2,2-Difluorobenzo[d] [1,3]dioxol-5-yl)-2-(3- f...)
Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C22H18F3N5O4/c1-11-6-12(8-13(23)7-11)19-18(20(26)31)15-10-29(4-5-30(15)28-19)21(32)27-14-2-3-16-17(9-14)34-22(24,25)33-16/h2-3,6-9H,4-5,10H2,1H3,(H2,26,31)(H,27,32)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302660
PNG
(2-(3-Fluoro-5- methylphenyl)-N5-(2- methylbenzo[d]...)
Show SMILES Cc1nc2cc(NC(=O)N3CCn4nc(c(C(N)=O)c4C3)-c3cc(C)cc(F)c3)ccc2s1
Show InChI InChI=1S/C23H21FN6O2S/c1-12-7-14(9-15(24)8-12)21-20(22(25)31)18-11-29(5-6-30(18)28-21)23(32)27-16-3-4-19-17(10-16)26-13(2)33-19/h3-4,7-10H,5-6,11H2,1-2H3,(H2,25,31)(H,27,32)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302661
PNG
(N5-(4-Cyano-3- (trifluoromethyl)phenyl)-2- (3-fluo...)
Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N6O2/c1-12-6-14(8-15(24)7-12)20-19(21(29)34)18-11-32(4-5-33(18)31-20)22(35)30-16-3-2-13(10-28)17(9-16)23(25,26)27/h2-3,6-9H,4-5,11H2,1H3,(H2,29,34)(H,30,35)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302662
PNG
(N5-(3-Chloro-4- cyanophenyl)-2-(3-fluoro-5- methyl...)
Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1
Show InChI InChI=1S/C22H18ClFN6O2/c1-12-7-13(9-14(24)8-12)20-19(21(25)31)18-11-29(5-6-30(18)28-20)22(32)27-15-3-4-17(26-2)16(23)10-15/h3-4,7-10H,5-6,11H2,1H3,(H2,25,31)(H,27,32)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302663
PNG
(US9598423, Example 231)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H16F5N5O2/c22-14-6-1-11(9-15(14)23)18-17(19(27)32)16-10-30(7-8-31(16)29-18)20(33)28-13-4-2-12(3-5-13)21(24,25)26/h1-6,9H,7-8,10H2,(H2,27,32)(H,28,33)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302664
PNG
(N5-(2,2-Difluorobenzo [d][1,3]dioxol-5-yl)-2- (3,4...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(F)c1)C(=O)Nc1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C21H15F4N5O4/c22-12-3-1-10(7-13(12)23)18-17(19(26)31)14-9-29(5-6-30(14)28-18)20(32)27-11-2-4-15-16(8-11)34-21(24,25)33-15/h1-4,7-8H,5-6,9H2,(H2,26,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302665
PNG
(N5-(3-Chloro-4- cyanophenyl)-2-(3,4- difluoropheny...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1
Show InChI InChI=1S/C21H15ClF2N6O2/c1-26-16-5-3-12(9-13(16)22)27-21(32)29-6-7-30-17(10-29)18(20(25)31)19(28-30)11-2-4-14(23)15(24)8-11/h2-5,8-9H,6-7,10H2,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302666
PNG
(2-(3,4-Difluorophenyl)-N5- (2,2-dioxido-1,3- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(F)c1)C(=O)Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C22H19F2N5O4S/c23-16-4-2-12(8-17(16)24)20-19(21(25)30)18-9-28(5-6-29(18)27-20)22(31)26-15-3-1-13-10-34(32,33)11-14(13)7-15/h1-4,7-8H,5-6,9-11H2,(H2,25,30)(H,26,31)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302667
PNG
(N5-(Benzo[d]thiazol-6-yl)- 2-(3,4-difluorophenyl)-...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(F)c1)C(=O)Nc1ccc2scnc2c1
Show InChI InChI=1S/C21H16F2N6O2S/c22-13-3-1-11(7-14(13)23)19-18(20(24)30)16-9-28(5-6-29(16)27-19)21(31)26-12-2-4-17-15(8-12)25-10-32-17/h1-4,7-8,10H,5-6,9H2,(H2,24,30)(H,26,31)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302668
PNG
(N5-(4-Cyano-3- fluorophenyl)-2-(3,4- difluoropheny...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C21H15F3N6O2/c1-26-16-5-3-12(9-15(16)24)27-21(32)29-6-7-30-17(10-29)18(20(25)31)19(28-30)11-2-4-13(22)14(23)8-11/h2-5,8-9H,6-7,10H2,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302669
PNG
(N5-(4-Cyano-3- (trifluoromethyl)phenyl)- 2-(3,4-di...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H15F5N6O2/c23-15-4-2-11(7-16(15)24)19-18(20(29)34)17-10-32(5-6-33(17)31-19)21(35)30-13-3-1-12(9-28)14(8-13)22(25,26)27/h1-4,7-8H,5-6,10H2,(H2,29,34)(H,30,35)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302670
PNG
(2-(3,4-Difluorophenyl)-N5- (2-methylbenzo[d]thiazo...)
Show SMILES Cc1nc2cc(NC(=O)N3CCn4nc(c(C(N)=O)c4C3)-c3ccc(F)c(F)c3)ccc2s1
Show InChI InChI=1S/C22H18F2N6O2S/c1-11-26-16-9-13(3-5-18(16)33-11)27-22(32)29-6-7-30-17(10-29)19(21(25)31)20(28-30)12-2-4-14(23)15(24)8-12/h2-5,8-9H,6-7,10H2,1H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302671
PNG
(US9598423, Example 239)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(C)c1
Show InChI InChI=1S/C23H21FN6O2/c1-13-10-15(4-6-17(13)24)21-20(22(25)31)19-12-29(8-9-30(19)28-21)23(32)27-16-5-7-18(26-3)14(2)11-16/h4-7,10-11H,8-9,12H2,1-2H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302672
PNG
(2-(4-Fluoro-3- methylphenyl)-N5-(2- methylbenzo[d]...)
Show SMILES Cc1nc2cc(NC(=O)N3CCn4nc(c(C(N)=O)c4C3)-c3ccc(F)c(C)c3)ccc2s1
Show InChI InChI=1S/C23H21FN6O2S/c1-12-9-14(3-5-16(12)24)21-20(22(25)31)18-11-29(7-8-30(18)28-21)23(32)27-15-4-6-19-17(10-15)26-13(2)33-19/h3-6,9-10H,7-8,11H2,1-2H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302673
PNG
(N5-(Benzo[d]thiazol-6- yl)-2-(4-fluoro-3- methylph...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2ncsc2c1
Show InChI InChI=1S/C22H19FN6O2S/c1-12-8-13(2-4-15(12)23)20-19(21(24)30)17-10-28(6-7-29(17)27-20)22(31)26-14-3-5-16-18(9-14)32-11-25-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,24,30)(H,26,31)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302674
PNG
(2-(4-Fluoro-3- methylphenyl)-N5-(4- (trifluorometh...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F4N5O2/c1-12-10-13(2-7-16(12)23)19-18(20(27)32)17-11-30(8-9-31(17)29-19)21(33)28-15-5-3-14(4-6-15)22(24,25)26/h2-7,10H,8-9,11H2,1H3,(H2,27,32)(H,28,33)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302675
PNG
(N5-(4-Cyano-3- fluorophenyl)-2-(4- fluoro-3- methy...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C22H18F2N6O2/c1-12-9-13(3-5-15(12)23)20-19(21(25)31)18-11-29(7-8-30(18)28-20)22(32)27-14-4-6-17(26-2)16(24)10-14/h3-6,9-10H,7-8,11H2,1H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302676
PNG
(N5-(3-Chloro-4- cyanophenyl)-2-(4-fluoro- 3-methyl...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1
Show InChI InChI=1S/C22H18ClFN6O2/c1-12-9-13(3-5-16(12)24)20-19(21(25)31)18-11-29(7-8-30(18)28-20)22(32)27-14-4-6-17(26-2)15(23)10-14/h3-6,9-10H,7-8,11H2,1H3,(H2,25,31)(H,27,32)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302677
PNG
(N5-(4-Cyano-3- (trifluoromethyl)phenyl)- 2-(4-fluo...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(C#[C-])c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F4N5O2/c1-3-14-4-6-16(11-17(14)24(26,27)28)30-23(35)32-8-9-33-19(12-32)20(22(29)34)21(31-33)15-5-7-18(25)13(2)10-15/h4-7,10-11H,8-9,12H2,2H3,(H2,29,34)(H,30,35)/q-1
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302678
PNG
(N5-(2,2-Dioxido-1,3- dihydrobenzo[c]thiophen- 5-yl...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C23H22FN5O4S/c1-13-8-14(3-5-18(13)24)21-20(22(25)30)19-10-28(6-7-29(19)27-21)23(31)26-17-4-2-15-11-34(32,33)12-16(15)9-17/h2-5,8-9H,6-7,10-12H2,1H3,(H2,25,30)(H,26,31)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302679
PNG
(N5-(2,2-Difluorobenzo [d][1,3]dioxol-5-yl)-2- (4-f...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C22H18F3N5O4/c1-11-8-12(2-4-14(11)23)19-18(20(26)31)15-10-29(6-7-30(15)28-19)21(32)27-13-3-5-16-17(9-13)34-22(24,25)33-16/h2-5,8-9H,6-7,10H2,1H3,(H2,26,31)(H,27,32)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302680
PNG
(N5-(4-Cyanophenyl)-2- (4-fluoro-3- methylphenyl)-6...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C22H19FN6O2/c1-13-11-14(3-8-17(13)23)20-19(21(24)30)18-12-28(9-10-29(18)27-20)22(31)26-16-6-4-15(25-2)5-7-16/h3-8,11H,9-10,12H2,1H3,(H2,24,30)(H,26,31)
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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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302681
PNG
(US9598423, Example 249)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(C)c1
Show InChI InChI=1S/C23H21ClN6O2/c1-13-4-5-15(11-17(13)24)21-20(22(25)31)19-12-29(8-9-30(19)28-21)23(32)27-16-6-7-18(26-3)14(2)10-16/h4-7,10-11H,8-9,12H2,1-2H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302682
PNG
(2-(3-Chloro-4- methylphenyl)-N5-(2,2- difluorobenz...)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C22H18ClF2N5O4/c1-11-2-3-12(8-14(11)23)19-18(20(26)31)15-10-29(6-7-30(15)28-19)21(32)27-13-4-5-16-17(9-13)34-22(24,25)33-16/h2-5,8-9H,6-7,10H2,1H3,(H2,26,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302683
PNG
(2-(3-Chloro-4- methylphenyl)-N5-(2,2- dioxido-1,3-...)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C23H22ClN5O4S/c1-13-2-3-14(9-18(13)24)21-20(22(25)30)19-10-28(6-7-29(19)27-21)23(31)26-17-5-4-15-11-34(32,33)12-16(15)8-17/h2-5,8-9H,6-7,10-12H2,1H3,(H2,25,30)(H,26,31)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302684
PNG
(2-(3-Chloro-4- methylphenyl)-N5-(2- methylbenzo[d]...)
Show SMILES Cc1nc2cc(NC(=O)N3CCn4nc(c(C(N)=O)c4C3)-c3ccc(C)c(Cl)c3)ccc2s1
Show InChI InChI=1S/C23H21ClN6O2S/c1-12-3-4-14(9-16(12)24)21-20(22(25)31)18-11-29(7-8-30(18)28-21)23(32)27-15-5-6-19-17(10-15)26-13(2)33-19/h3-6,9-10H,7-8,11H2,1-2H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302685
PNG
(2-(3-Chloro-4- methylphenyl)-N5-(4- cyano-3-(trifl...)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N6O2/c1-12-2-3-13(8-17(12)24)20-19(21(29)34)18-11-32(6-7-33(18)31-20)22(35)30-15-5-4-14(10-28)16(9-15)23(25,26)27/h2-5,8-9H,6-7,11H2,1H3,(H2,29,34)(H,30,35)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302686
PNG
(N5-(Benzo[d]thiazol- 6-yl)-2-(3-chloro-4- methylph...)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2ncsc2c1
Show InChI InChI=1S/C22H19ClN6O2S/c1-12-2-3-13(8-15(12)23)20-19(21(24)30)17-10-28(6-7-29(17)27-20)22(31)26-14-4-5-16-18(9-14)32-11-25-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,24,30)(H,26,31)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302687
PNG
(2-(3-Chloro-4- methylphenyl)-N5-(4- cyano-3-fluoro...)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C22H18ClFN6O2/c1-12-3-4-13(9-15(12)23)20-19(21(25)31)18-11-29(7-8-30(18)28-20)22(32)27-14-5-6-17(26-2)16(24)10-14/h3-6,9-10H,7-8,11H2,1H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302688
PNG
(N5-(3-Chloro-4- cyanophenyl)-2-(3- chloro-4- methy...)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1
Show InChI InChI=1S/C22H18Cl2N6O2/c1-12-3-4-13(9-15(12)23)20-19(21(25)31)18-11-29(7-8-30(18)28-20)22(32)27-14-5-6-17(26-2)16(24)10-14/h3-6,9-10H,7-8,11H2,1H3,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302689
PNG
(2-(3-Chloro-4- methylphenyl)-N5-(4- (trifluorometh...)
Show SMILES Cc1ccc(cc1Cl)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19ClF3N5O2/c1-12-2-3-13(10-16(12)23)19-18(20(27)32)17-11-30(8-9-31(17)29-19)21(33)28-15-6-4-14(5-7-15)22(24,25)26/h2-7,10H,8-9,11H2,1H3,(H2,27,32)(H,28,33)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302690
PNG
(US9598423, Example 258)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(C2CC2)c(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C24H21ClN6O2/c1-27-16-5-7-17(8-6-16)28-24(33)30-10-11-31-20(13-30)21(23(26)32)22(29-31)15-4-9-18(14-2-3-14)19(25)12-15/h4-9,12,14H,2-3,10-11,13H2,(H2,26,32)(H,28,33)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302691
PNG
(US9598423, Example 259)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C21H15Cl2FN6O2/c1-26-12-2-4-13(5-3-12)27-21(32)29-6-7-30-16(10-29)17(20(25)31)19(28-30)11-8-14(22)18(24)15(23)9-11/h2-5,8-9H,6-7,10H2,(H2,25,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302692
PNG
(2-(3,5-Dichloro-4- fluorophenyl)-N5-(3,4- difluoro...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C20H14Cl2F3N5O2/c21-11-5-9(6-12(22)17(11)25)18-16(19(26)31)15-8-29(3-4-30(15)28-18)20(32)27-10-1-2-13(23)14(24)7-10/h1-2,5-7H,3-4,8H2,(H2,26,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302693
PNG
(2-(3,5-Dichloro-4- fluorophenyl)-N5-(3,5- dichloro...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H14Cl4FN5O2/c21-10-5-11(22)7-12(6-10)27-20(32)29-1-2-30-15(8-29)16(19(26)31)18(28-30)9-3-13(23)17(25)14(24)4-9/h3-7H,1-2,8H2,(H2,26,31)(H,27,32)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302694
PNG
(2-(3,5-Dichloro-4- fluorophenyl)-N5-(4- (trifluoro...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15Cl2F4N5O2/c22-13-7-10(8-14(23)17(13)24)18-16(19(28)33)15-9-31(5-6-32(15)30-18)20(34)29-12-3-1-11(2-4-12)21(25,26)27/h1-4,7-8H,5-6,9H2,(H2,28,33)(H,29,34)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302695
PNG
(N5-(3-Chloro-4- cyanophenyl)-2-(3,5- dichloro-4-fl...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1
Show InChI InChI=1S/C21H14Cl3FN6O2/c1-27-15-3-2-11(8-12(15)22)28-21(33)30-4-5-31-16(9-30)17(20(26)32)19(29-31)10-6-13(23)18(25)14(24)7-10/h2-3,6-8H,4-5,9H2,(H2,26,32)(H,28,33)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302696
PNG
(N5-(4-Cyano-3- fluorophenyl)-2-(3,5- dichloro-4-fl...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C21H14Cl2F2N6O2/c1-27-15-3-2-11(8-14(15)24)28-21(33)30-4-5-31-16(9-30)17(20(26)32)19(29-31)10-6-12(22)18(25)13(23)7-10/h2-3,6-8H,4-5,9H2,(H2,26,32)(H,28,33)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302697
PNG
(US9598423, Example 265)
Show SMILES CN(C)c1cc(Cl)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C23H22ClN7O2/c1-26-16-4-6-17(7-5-16)27-23(33)30-8-9-31-19(13-30)20(22(25)32)21(28-31)14-10-15(24)12-18(11-14)29(2)3/h4-7,10-12H,8-9,13H2,2-3H3,(H2,25,32)(H,27,33)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302698
PNG
(2-(3-Chloro-5- (dimethylamino)phenyl)- N5-(4-cyano...)
Show SMILES CN(C)c1cc(Cl)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N7O2/c1-30-18-5-4-15(11-17(18)24(26,27)28)31-23(37)34-6-7-35-19(12-34)20(22(29)36)21(32-35)13-8-14(25)10-16(9-13)33(2)3/h4-5,8-11H,6-7,12H2,2-3H3,(H2,29,36)(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 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302699
PNG
(2-(3-Chloro-5- (dimethylamino)phenyl)- N5-(4-cyano...)
Show SMILES CN(C)c1cc(Cl)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(C)c1
Show InChI InChI=1S/C24H24ClN7O2/c1-14-9-17(5-6-19(14)27-2)28-24(34)31-7-8-32-20(13-31)21(23(26)33)22(29-32)15-10-16(25)12-18(11-15)30(3)4/h5-6,9-12H,7-8,13H2,1,3-4H3,(H2,26,33)(H,28,34)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302700
PNG
(N5-(3-Chloro-4- cyanophenyl)-2-(3- chloro-5-(dimet...)
Show SMILES CN(C)c1cc(Cl)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1
Show InChI InChI=1S/C23H21Cl2N7O2/c1-27-18-5-4-15(11-17(18)25)28-23(34)31-6-7-32-19(12-31)20(22(26)33)21(29-32)13-8-14(24)10-16(9-13)30(2)3/h4-5,8-11H,6-7,12H2,2-3H3,(H2,26,33)(H,28,34)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302701
PNG
(2-(3-Chloro-5- (dimethylamino)phenyl)- N5-(4-cyano...)
Show SMILES CN(C)c1cc(Cl)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C23H21ClFN7O2/c1-27-18-5-4-15(11-17(18)25)28-23(34)31-6-7-32-19(12-31)20(22(26)33)21(29-32)13-8-14(24)10-16(9-13)30(2)3/h4-5,8-11H,6-7,12H2,2-3H3,(H2,26,33)(H,28,34)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302702
PNG
(US9598423, Example 270)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cncc(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C20H16ClN7O2/c1-23-14-2-4-15(5-3-14)25-20(30)27-6-7-28-16(11-27)17(19(22)29)18(26-28)12-8-13(21)10-24-9-12/h2-5,8-10H,6-7,11H2,(H2,22,29)(H,25,30)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302703
PNG
(N5-(4-Cyanophenyl)-2-(3- methoxyphenyl)-6,7- dihyd...)
Show SMILES COc1cccc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N6O3/c1-31-17-4-2-3-15(11-17)20-19(21(24)29)18-13-27(9-10-28(18)26-20)22(30)25-16-7-5-14(12-23)6-8-16/h2-8,11H,9-10,13H2,1H3,(H2,24,29)(H,25,30)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302704
PNG
(N5-(4-Cyanophenyl)-2-(2,5- dichlorophenyl)-6,7- di...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C21H16Cl2N6O2/c1-25-13-3-5-14(6-4-13)26-21(31)28-8-9-29-17(11-28)18(20(24)30)19(27-29)15-10-12(22)2-7-16(15)23/h2-7,10H,8-9,11H2,(H2,24,30)(H,26,31)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302705
PNG
(N5-(4-Cyanophenyl)-2-(3,5- dichlorophenyl)-6,7- di...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C21H16Cl2N6O2/c1-25-15-2-4-16(5-3-15)26-21(31)28-6-7-29-17(11-28)18(20(24)30)19(27-29)12-8-13(22)10-14(23)9-12/h2-5,8-10H,6-7,11H2,(H2,24,30)(H,26,31)
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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 US9598423 (2017)

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


(Homo sapiens (Human))
BDBM302707
PNG
(N5-(4-Cyanophenyl)-2-(3,5- dimethylphenyl)-6,7- di...)
Show SMILES Cc1cc(C)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C23H22N6O2/c1-14-10-15(2)12-16(11-14)21-20(22(24)30)19-13-28(8-9-29(19)27-21)23(31)26-18-6-4-17(25-3)5-7-18/h4-7,10-12H,8-9,13H2,1-2H3,(H2,24,30)(H,26,31)
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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 US9598423 (2017)

More data for this
Ligand-Target Pair
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