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Compile Data Set for Download or QSAR

Found 4948 hits Enz. Inhib. hit(s) with Target = 'Casein Kinase II'   
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 II subunit beta


(Homo sapiens (Human))
BDBM218927
PNG
(US9303033, H4, Table 13A, Compound 16 | US9303033,...)
Show SMILES O=C(COc1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)N1CCCC1
Show InChI InChI=1S/C25H25N7O4/c33-22(31-8-1-2-9-31)14-36-18-5-3-4-15(10-18)19-12-21(27-17-6-7-17)32-23(28-19)16(13-26-32)11-20-24(34)30-25(35)29-20/h3-5,10-13,17,27H,1-2,6-9,14H2,(H2,29,30,34,35)/b20-11-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218928
PNG
(US9303033, I4, Table 13A, Compound 17 | US9303033,...)
Show SMILES CN1CCN(Cc2cccc(c2)-c2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)CC1
Show InChI InChI=1S/C25H28N8O2/c1-31-7-9-32(10-8-31)15-16-3-2-4-17(11-16)20-13-22(27-19-5-6-19)33-23(28-20)18(14-26-33)12-21-24(34)30-25(35)29-21/h2-4,11-14,19,27H,5-10,15H2,1H3,(H2,29,30,34,35)/b21-12-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218929
PNG
(US9303033, J4, Table 13A, Compound 18 | US9303033,...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C21H21N7O2/c1-27(2)15-7-3-12(4-8-15)16-10-18(23-14-5-6-14)28-19(24-16)13(11-22-28)9-17-20(29)26-21(30)25-17/h3-4,7-11,14,23H,5-6H2,1-2H3,(H2,25,26,29,30)/b17-9-
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n/an/a 867n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218930
PNG
(US9303033, K4, Table 13A, Compound 19 | US9303033,...)
Show SMILES Fc1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C19H15FN6O2/c20-12-3-1-2-10(6-12)14-8-16(22-13-4-5-13)26-17(23-14)11(9-21-26)7-15-18(27)25-19(28)24-15/h1-3,6-9,13,22H,4-5H2,(H2,24,25,27,28)/b15-7-
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n/an/a 1.31E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218931
PNG
(US9303033, G8, Table 22A, Compound 27 | US9303033,...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(nc12)-c1cccc(OCC2=NCCN2)c1 |t:32|
Show InChI InChI=1S/C23H22N8O3/c32-22-18(29-23(33)30-22)9-14-11-26-31-20(27-15-4-5-15)10-17(28-21(14)31)13-2-1-3-16(8-13)34-12-19-24-6-7-25-19/h1-3,8-11,15,27H,4-7,12H2,(H,24,25)(H2,29,30,32,33)/b18-9-
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n/an/a 1.47E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218932
PNG
(US9303033, H8, Table 22A, Compound 28 | US9303033,...)
Show SMILES Oc1ccc(cc1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C19H16N6O3/c26-13-5-1-10(2-6-13)14-8-16(21-12-3-4-12)25-17(22-14)11(9-20-25)7-15-18(27)24-19(28)23-15/h1-2,5-9,12,21,26H,3-4H2,(H2,23,24,27,28)/b15-7-
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n/an/a 1.25E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218933
PNG
(US9303033, I8, Table 22A, Compound 29 | US9303033,...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(nc12)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C24H25N7O3/c32-23-20(28-24(33)29-23)11-17-13-25-31-21(26-18-4-5-18)12-19(27-22(17)31)16-3-1-2-15(10-16)14-30-6-8-34-9-7-30/h1-3,10-13,18,26H,4-9,14H2,(H2,28,29,32,33)/b20-11-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218934
PNG
(US9303033, J8, Table 22A, Compound 30 | US9303033,...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)12-3-1-2-10(6-12)14-8-16(25-13-4-5-13)29-17(26-14)11(9-24-29)7-15-18(30)28-19(31)27-15/h1-3,6-9,13,25H,4-5H2,(H2,27,28,30,31)/b15-7-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218935
PNG
(US9303033, K8, Table 22A, Compound 31 | US9303033,...)
Show SMILES Fc1cc(ccn1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C18H14FN7O2/c19-14-6-9(3-4-20-14)12-7-15(22-11-1-2-11)26-16(23-12)10(8-21-26)5-13-17(27)25-18(28)24-13/h3-8,11,22H,1-2H2,(H2,24,25,27,28)/b13-5-
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n/an/a 75.4n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218936
PNG
(US9303033, Q4, Table 13A, Compound 25 | US9303033,...)
Show SMILES CN(C)c1ccc(cn1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C20H20N8O2/c1-27(2)16-6-3-11(9-21-16)14-8-17(23-13-4-5-13)28-18(24-14)12(10-22-28)7-15-19(29)26-20(30)25-15/h3,6-10,13,23H,4-5H2,1-2H3,(H2,25,26,29,30)/b15-7-
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n/an/a 256n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218852
PNG
(US9303033, J1, Table 4A, Compound 4 | US9303033, Z...)
Show SMILES FC(F)(F)c1cccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)11-2-1-3-13(7-11)25-15-8-16(26-12-4-5-12)30-17(28-15)10(9-24-30)6-14-18(31)29-19(32)27-14/h1-3,6-9,12,26H,4-5H2,(H,25,28)(H2,27,29,31,32)/b14-6-
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n/an/a 2.48E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218853
PNG
(US9303033, B39, Table 43A, Compound 5 | US9303033,...)
Show SMILES COc1ccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1Cl
Show InChI InChI=1S/C20H18ClN7O3/c1-31-15-5-4-12(7-13(15)21)23-16-8-17(24-11-2-3-11)28-18(26-16)10(9-22-28)6-14-19(29)27-20(30)25-14/h4-9,11,24H,2-3H2,1H3,(H,23,26)(H2,25,27,29,30)/b14-6-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218854
PNG
(US9303033, D39, Table 43A, Compound 7 | US9303033,...)
Show SMILES Fc1ccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c(Cl)c1
Show InChI InChI=1S/C19H15ClFN7O2/c20-12-6-10(21)1-4-13(12)24-15-7-16(23-11-2-3-11)28-17(26-15)9(8-22-28)5-14-18(29)27-19(30)25-14/h1,4-8,11,23H,2-3H2,(H,24,26)(H2,25,27,29,30)/b14-5-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218855
PNG
(US9303033, F39, Table 43A, Compound 9 | US9303033,...)
Show SMILES CC(C)Oc1cccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C22H23N7O3/c1-12(2)32-16-5-3-4-15(9-16)24-18-10-19(25-14-6-7-14)29-20(27-18)13(11-23-29)8-17-21(30)28-22(31)26-17/h3-5,8-12,14,25H,6-7H2,1-2H3,(H,24,27)(H2,26,28,30,31)/b17-8-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218856
PNG
(US9303033, N1, Table 4A, Compound 8)
Show SMILES Fc1cc(F)cc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C19H15F2N7O2/c20-10-4-11(21)6-13(5-10)23-15-7-16(24-12-1-2-12)28-17(26-15)9(8-22-28)3-14-18(29)27-19(30)25-14/h3-8,12,24H,1-2H2,(H,23,26)(H2,25,27,29,30)/b14-3-
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n/an/a 1.97E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218857
PNG
(US9303033, O1, Table 4A, Compound 9)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3ccccn3)nc12
Show InChI InChI=1S/C18H16N8O2/c27-17-12(22-18(28)25-17)7-10-9-20-26-15(21-11-4-5-11)8-14(24-16(10)26)23-13-3-1-2-6-19-13/h1-3,6-9,11,21H,4-5H2,(H,19,23,24)(H2,22,25,27,28)/b12-7-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218858
PNG
(US9303033, P1, Table 4A, Compound 10)
Show SMILES COc1cccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1Cl
Show InChI InChI=1S/C20H18ClN7O3/c1-31-14-4-2-3-12(17(14)21)24-15-8-16(23-11-5-6-11)28-18(26-15)10(9-22-28)7-13-19(29)27-20(30)25-13/h2-4,7-9,11,23H,5-6H2,1H3,(H,24,26)(H2,25,27,29,30)/b13-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218859
PNG
(US9303033, A39, Table 43A, Compound 4 | US9303033,...)
Show SMILES Fc1ccc(Cl)cc1Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C19H15ClFN7O2/c20-10-1-4-12(21)13(6-10)24-15-7-16(23-11-2-3-11)28-17(26-15)9(8-22-28)5-14-18(29)27-19(30)25-14/h1,4-8,11,23H,2-3H2,(H,24,26)(H2,25,27,29,30)/b14-5-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218860
PNG
(US9303033, C39, Table 43A, Compound 6 | US9303033,...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3ccc(cc3)-n3cccn3)nc12
Show InChI InChI=1S/C22H19N9O2/c32-21-17(27-22(33)29-21)10-13-12-24-31-19(26-15-2-3-15)11-18(28-20(13)31)25-14-4-6-16(7-5-14)30-9-1-8-23-30/h1,4-12,15,26H,2-3H2,(H,25,28)(H2,27,29,32,33)/b17-10-
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n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218861
PNG
(US9303033, E39, Table 43A, Compound 8 | US9303033,...)
Show SMILES Fc1ccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1Cl
Show InChI InChI=1S/C19H15ClFN7O2/c20-12-6-11(3-4-13(12)21)23-15-7-16(24-10-1-2-10)28-17(26-15)9(8-22-28)5-14-18(29)27-19(30)25-14/h3-8,10,24H,1-2H2,(H,23,26)(H2,25,27,29,30)/b14-5-
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n/an/a 2.04E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218862
PNG
(US9303033, T1, Table 6A, Compound 1)
Show SMILES Clc1cccc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C20H18ClN7O2/c21-13-2-1-3-14(7-13)24-16-8-17(22-9-11-4-5-11)28-18(26-16)12(10-23-28)6-15-19(29)27-20(30)25-15/h1-3,6-8,10-11,22H,4-5,9H2,(H,24,26)(H2,25,27,29,30)/b15-6-
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n/an/a 509n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218863
PNG
(US9303033, U1, Table 6A, Compound 2)
Show SMILES CCOC(=O)c1cc(F)cc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C23H22FN7O4/c1-2-35-22(33)13-5-15(24)8-16(6-13)27-18-9-19(25-10-12-3-4-12)31-20(29-18)14(11-26-31)7-17-21(32)30-23(34)28-17/h5-9,11-12,25H,2-4,10H2,1H3,(H,27,29)(H2,28,30,32,34)/b17-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218864
PNG
(US9303033, V1, Table 6A, Compound 3)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NCC3CC3)cc(Nc3cccnc3)nc12
Show InChI InChI=1S/C19H18N8O2/c28-18-14(24-19(29)26-18)6-12-9-22-27-16(21-8-11-3-4-11)7-15(25-17(12)27)23-13-2-1-5-20-10-13/h1-2,5-7,9-11,21H,3-4,8H2,(H,23,25)(H2,24,26,28,29)/b14-6-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218865
PNG
(US9303033, W1, Table 6A, Compound 4)
Show SMILES Cc1ccc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)nc1
Show InChI InChI=1S/C20H20N8O2/c1-11-2-5-15(21-8-11)25-16-7-17(22-9-12-3-4-12)28-18(26-16)13(10-23-28)6-14-19(29)27-20(30)24-14/h2,5-8,10,12,22H,3-4,9H2,1H3,(H,21,25,26)(H2,24,27,29,30)/b14-6-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218866
PNG
(US9303033, X1, Table 6A, Compound 5)
Show SMILES Clc1ccc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cn1
Show InChI InChI=1S/C19H17ClN8O2/c20-14-4-3-12(9-21-14)24-15-6-16(22-7-10-1-2-10)28-17(26-15)11(8-23-28)5-13-18(29)27-19(30)25-13/h3-6,8-10,22H,1-2,7H2,(H,24,26)(H2,25,27,29,30)/b13-5-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218867
PNG
(US9303033, Y1, Table 6A, Compound 6)
Show SMILES CC(=O)Nc1cccc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C22H22N8O3/c1-12(31)25-15-3-2-4-16(8-15)26-18-9-19(23-10-13-5-6-13)30-20(28-18)14(11-24-30)7-17-21(32)29-22(33)27-17/h2-4,7-9,11,13,23H,5-6,10H2,1H3,(H,25,31)(H,26,28)(H2,27,29,32,33)/b17-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218878
PNG
(US9303033, J2, Table 7A, Compound 1)
Show SMILES Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C13H13N7O2/c14-9-4-10(16-7-1-2-7)20-11(18-9)6(5-15-20)3-8-12(21)19-13(22)17-8/h3-5,7,16H,1-2H2,(H2,14,18)(H2,17,19,21,22)/b8-3-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218879
PNG
(US9303033, K2, Table 7A, Compound 2)
Show SMILES O=C(Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)C1CC1
Show InChI InChI=1S/C17H17N7O3/c25-15(8-1-2-8)22-12-6-13(19-10-3-4-10)24-14(21-12)9(7-18-24)5-11-16(26)23-17(27)20-11/h5-8,10,19H,1-4H2,(H,21,22,25)(H2,20,23,26,27)/b11-5-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218881
PNG
(US9303033, M2, Example 25)
Show SMILES FC1(F)CCN(CC1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C18H19F2N7O2/c19-18(20)3-5-26(6-4-18)13-8-14(22-11-1-2-11)27-15(24-13)10(9-21-27)7-12-16(28)25-17(29)23-12/h7-9,11,22H,1-6H2,(H2,23,25,28,29)/b12-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218882
PNG
(US9303033, N2, Example 26)
Show SMILES O=Cc1cnn2c(NC3CC3)cc(NC3CCCC3)nc12
Show InChI InChI=1S/C15H19N5O/c21-9-10-8-16-20-14(18-12-5-6-12)7-13(19-15(10)20)17-11-3-1-2-4-11/h7-9,11-12,18H,1-6H2,(H,17,19)
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n/an/a 845n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218883
PNG
(US9303033, O2, Example 27)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(NC3CCCC3)nc12
Show InChI InChI=1S/C18H21N7O2/c26-17-13(22-18(27)24-17)7-10-9-19-25-15(21-12-5-6-12)8-14(23-16(10)25)20-11-3-1-2-4-11/h7-9,11-12,21H,1-6H2,(H,20,23)(H2,22,24,26,27)/b13-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218884
PNG
(US9303033, P2, Table 9A, Compound 1)
Show SMILES F[C@@H]1CCN(C1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r|
Show InChI InChI=1S/C17H18FN7O2/c18-10-3-4-24(8-10)13-6-14(20-11-1-2-11)25-15(22-13)9(7-19-25)5-12-16(26)23-17(27)21-12/h5-7,10-11,20H,1-4,8H2,(H2,21,23,26,27)/b12-5-/t10-/m1/s1
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218885
PNG
(US9303033, Q2, Table 9A, Compound 2)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NCC3CC3)cc(NN3CCOCC3)nc12
Show InChI InChI=1S/C18H22N8O3/c27-17-13(21-18(28)23-17)7-12-10-20-26-15(19-9-11-1-2-11)8-14(22-16(12)26)24-25-3-5-29-6-4-25/h7-8,10-11,19H,1-6,9H2,(H,22,24)(H2,21,23,27,28)/b13-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218886
PNG
(US9303033, O36, Table 41A, Compound 1 | US9303033,...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:1.0,wD:4.7,(-8.26,1.91,;-6.92,1.14,;-5.59,1.91,;-4.25,1.14,;-4.25,-.4,;-5.59,-1.17,;-6.92,-.4,;-2.92,-1.17,;-1.59,-.4,;-1.59,1.14,;-.25,1.91,;-.25,3.45,;1.08,4.22,;2.62,4.22,;1.85,5.56,;1.08,1.14,;2.54,1.62,;3.45,.37,;2.54,-.87,;2.94,-2.36,;4.43,-2.76,;5.68,-1.85,;6.92,-2.76,;8.26,-1.99,;6.45,-4.22,;4.91,-4.22,;4.14,-5.56,;1.08,-.4,;-.25,-1.17,)|
Show InChI InChI=1S/C19H24N8O2/c20-11-1-3-12(4-2-11)22-15-8-16(23-13-5-6-13)27-17(25-15)10(9-21-27)7-14-18(28)26-19(29)24-14/h7-9,11-13,23H,1-6,20H2,(H,22,25)(H2,24,26,28,29)/b14-7-/t11-,12-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218887
PNG
(US9303033, S2, Table 9A, Compound 4)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(NN3CCOCC3)nc12
Show InChI InChI=1S/C17H20N8O3/c26-16-12(20-17(27)22-16)7-10-9-18-25-14(19-11-1-2-11)8-13(21-15(10)25)23-24-3-5-28-6-4-24/h7-9,11,19H,1-6H2,(H,21,23)(H2,20,22,26,27)/b12-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218888
PNG
(US9303033, T2, Table 9A, Compound 5)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(NCC3CC3)nc12
Show InChI InChI=1S/C17H19N7O2/c25-16-12(21-17(26)23-16)5-10-8-19-24-14(20-11-3-4-11)6-13(22-15(10)24)18-7-9-1-2-9/h5-6,8-9,11,20H,1-4,7H2,(H,18,22)(H2,21,23,25,26)/b12-5-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218889
PNG
(US9303033, U2, Table 9A, Compound 6)
Show SMILES C[C@H](Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)C1CC1 |r|
Show InChI InChI=1S/C18H21N7O2/c1-9(10-2-3-10)20-14-7-15(21-12-4-5-12)25-16(23-14)11(8-19-25)6-13-17(26)24-18(27)22-13/h6-10,12,21H,2-5H2,1H3,(H,20,23)(H2,22,24,26,27)/b13-6-/t9-/m0/s1
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n/an/a 766n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218890
PNG
(US9303033, V2, Table 9A, Compound 7)
Show SMILES CN1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C19H24N8O2/c1-26-6-4-13(5-7-26)21-15-9-16(22-12-2-3-12)27-17(24-15)11(10-20-27)8-14-18(28)25-19(29)23-14/h8-10,12-13,22H,2-7H2,1H3,(H,21,24)(H2,23,25,28,29)/b14-8-
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n/an/a 1.37E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218891
PNG
(US9303033, W2, Table 9A, Compound 8)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(NC3CCNCC3)nc12
Show InChI InChI=1S/C18H22N8O2/c27-17-13(23-18(28)25-17)7-10-9-20-26-15(22-11-1-2-11)8-14(24-16(10)26)21-12-3-5-19-6-4-12/h7-9,11-12,19,22H,1-6H2,(H,21,24)(H2,23,25,27,28)/b13-7-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218892
PNG
(US9303033, Q45, Table 50A, Compound 74 | US9303033...)
Show SMILES C[C@@H](Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)C1CC1 |r|
Show InChI InChI=1S/C18H21N7O2/c1-9(10-2-3-10)20-14-7-15(21-12-4-5-12)25-16(23-14)11(8-19-25)6-13-17(26)24-18(27)22-13/h6-10,12,21H,2-5H2,1H3,(H,20,23)(H2,22,24,26,27)/b13-6-/t9-/m1/s1
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n/an/a 1.95E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218893
PNG
(US9303033, A3, Table 10A, Compound 1 | US9303033, ...)
Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)|
Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,14?
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218894
PNG
(US9303033, B3, Table 10A, Compound 2)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:6.5,wD:9.12,(-9.59,3.35,;-8.26,4.12,;-8.26,5.66,;-6.92,3.35,;-5.59,4.12,;-6.92,1.81,;-5.59,1.04,;-4.25,1.81,;-2.92,1.04,;-2.92,-.5,;-4.25,-1.27,;-5.59,-.5,;-1.59,-1.27,;-.25,-.5,;-.25,1.04,;1.08,1.81,;1.08,3.35,;2.41,4.12,;3.95,4.12,;3.18,5.45,;2.41,1.04,;3.88,1.52,;4.78,.27,;3.88,-.98,;4.28,-2.46,;5.76,-2.86,;7.01,-1.96,;8.26,-2.86,;9.59,-2.09,;7.78,-4.33,;6.24,-4.33,;5.47,-5.66,;2.41,-.5,;1.08,-1.27,)|
Show InChI InChI=1S/C22H29N9O3/c1-30(2)22(34)26-15-7-3-13(4-8-15)24-17-10-18(25-14-5-6-14)31-19(28-17)12(11-23-31)9-16-20(32)29-21(33)27-16/h9-11,13-15,25H,3-8H2,1-2H3,(H,24,28)(H,26,34)(H2,27,29,32,33)/b16-9-/t13-,15-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218895
PNG
(US9303033, C3, Table 10A, Compound 3 | US9303033, ...)
Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-8.92,5.66,;-8.92,4.12,;-7.59,3.35,;-6.26,4.12,;-7.59,1.81,;-6.26,1.04,;-4.92,1.81,;-3.59,1.04,;-3.59,-.5,;-4.92,-1.27,;-6.26,-.5,;-2.25,-1.27,;-.92,-.5,;-.92,1.04,;.41,1.81,;.41,3.35,;1.75,4.12,;3.29,4.12,;2.52,5.45,;1.75,1.04,;3.21,1.52,;4.12,.27,;3.21,-.98,;3.61,-2.46,;5.1,-2.86,;6.34,-1.96,;7.59,-2.86,;8.92,-2.09,;7.11,-4.33,;5.57,-4.33,;4.8,-5.66,;1.75,-.5,;.41,-1.27,)|
Show InChI InChI=1S/C21H26N8O4/c1-33-21(32)25-14-6-2-12(3-7-14)23-16-9-17(24-13-4-5-13)29-18(27-16)11(10-22-29)8-15-19(30)28-20(31)26-15/h8-10,12-14,24H,2-7H2,1H3,(H,23,27)(H,25,32)(H2,26,28,30,31)/b15-8-/t12-,14-
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n/an/a 679n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218893
PNG
(US9303033, A3, Table 10A, Compound 1 | US9303033, ...)
Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)|
Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,14?
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n/an/a 476n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218897
PNG
(US9303033, E3, Table 10A, Compound 5 | US9303033, ...)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-9.03,3.45,;-7.49,3.45,;-7.49,4.99,;-6.15,4.22,;-7.49,1.91,;-6.15,1.14,;-4.82,1.91,;-3.48,1.14,;-3.48,-.4,;-4.82,-1.17,;-6.15,-.4,;-2.15,-1.17,;-.82,-.4,;-.82,1.14,;.52,1.91,;.52,3.45,;1.85,4.22,;3.39,4.22,;2.62,5.56,;1.85,1.14,;3.31,1.62,;4.22,.37,;3.31,-.87,;3.71,-2.36,;5.2,-2.76,;6.45,-1.85,;7.69,-2.76,;9.03,-1.99,;7.22,-4.22,;5.68,-4.22,;4.91,-5.56,;1.85,-.4,;.52,-1.17,)|
Show InChI InChI=1S/C20H26N8O4S/c1-33(31,32)27-14-6-4-12(5-7-14)22-16-9-17(23-13-2-3-13)28-18(25-16)11(10-21-28)8-15-19(29)26-20(30)24-15/h8-10,12-14,23,27H,2-7H2,1H3,(H,22,25)(H2,24,26,29,30)/b15-8-/t12-,14-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218898
PNG
(US9303033, Example 33, Table 11, Compound 1)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(SCc3ccccc3)nc12
Show InChI InChI=1S/C20H18N6O2S/c27-19-15(23-20(28)25-19)8-13-10-21-26-16(22-14-6-7-14)9-17(24-18(13)26)29-11-12-4-2-1-3-5-12/h1-5,8-10,14,22H,6-7,11H2,(H2,23,25,27,28)/b15-8-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218899
PNG
(US9303033, F3, Table 12A, Compound 1)
Show SMILES CC(C)CNc1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1
Show InChI InChI=1S/C17H20N6O2S/c1-9(2)7-18-13-6-14(20-11-3-4-11)23-15(21-13)10(8-19-23)5-12-16(24)22-17(25)26-12/h5-6,8-9,11,20H,3-4,7H2,1-2H3,(H,18,21)(H,22,24,25)/b12-5-
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n/an/a 1.64E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218900
PNG
(US9303033, G3, Table 12A, Compound 2)
Show SMILES CCN1CCCC1CNc1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1
Show InChI InChI=1S/C20H25N7O2S/c1-2-26-7-3-4-14(26)11-21-16-9-17(23-13-5-6-13)27-18(24-16)12(10-22-27)8-15-19(28)25-20(29)30-15/h8-10,13-14,23H,2-7,11H2,1H3,(H,21,24)(H,25,28,29)/b15-8-
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n/an/a 1.85E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218901
PNG
(US9303033, H3, Table 12A, Compound 3)
Show SMILES CC(O)CNc1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1
Show InChI InChI=1S/C16H18N6O3S/c1-8(23)6-17-12-5-13(19-10-2-3-10)22-14(20-12)9(7-18-22)4-11-15(24)21-16(25)26-11/h4-5,7-8,10,19,23H,2-3,6H2,1H3,(H,17,20)(H,21,24,25)/b11-4-
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SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218902
PNG
(US9303033, I3, Table 12A, Compound 4)
Show SMILES CN(C)c1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1
Show InChI InChI=1S/C15H16N6O2S/c1-20(2)11-6-12(17-9-3-4-9)21-13(18-11)8(7-16-21)5-10-14(22)19-15(23)24-10/h5-7,9,17H,3-4H2,1-2H3,(H,19,22,23)/b10-5-
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n/an/a 876n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
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