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Compile Data Set for Download or QSAR

Found 3403 hits Enz. Inhib. hit(s) with Target = 'Casein Kinase II'   
Target
(Institution)
LigandTarget
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


(Homo sapiens (Human))
BDBM142829
PNG
(US8940736, 391)
Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C
Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)
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n/an/a 0.0300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142775
PNG
(US8940736, 7)
Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)
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n/an/a 0.0700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142816
PNG
(US8940736, 281)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/s2
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n/an/a 0.0900n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142774
PNG
(US8940736, 6)
Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12
Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)
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n/an/a 0.0900n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human)-Rattus norvegicus)
BDBM218843
PNG
(US9303033, A1, Example 5)
Show SMILES Nc1cc(Nc2cccc(Cl)c2)nc2c(\C=C3/NC(=O)NC3=O)cnn12
Show InChI InChI=1S/C16H12ClN7O2/c17-9-2-1-3-10(5-9)20-13-6-12(18)24-14(22-13)8(7-19-24)4-11-15(25)23-16(26)21-11/h1-7H,18H2,(H,20,22)(H2,21,23,25,26)/b11-4-
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n/an/a<0.100n/an/an/an/an/an/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...


US Patent US9303033 (2016)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142792
PNG
(US8940736, 160)
Show SMILES CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C24H25ClN10O2S/c1-38(36,37)18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)
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n/an/a 0.110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142835
PNG
(US8940736, 402)
Show SMILES OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C17H13ClN8O/c18-14-10(8-27)3-9(5-19)4-13(14)23-17-24-15(22-11-1-2-11)16-21-7-12(6-20)26(16)25-17/h3-4,7,11,27H,1-2,8H2,(H2,22,23,24,25)
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n/an/a 0.110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142777
PNG
(US8940736, 49)
Show SMILES Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
Show InChI InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)
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n/an/a 0.110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142822
PNG
(US8940736, 328)
Show SMILES CCNc1nc(Nc2cc(cc(N3CC[C@H](NC(=O)OC)[C@@H](O)C3)c2Cl)C#N)nn2c(cnc12)[N+]#[C-]
Show InChI InChI=1/C22H23ClN10O3/c1-4-26-19-20-27-10-17(25-2)33(20)31-21(30-19)28-14-7-12(9-24)8-15(18(14)23)32-6-5-13(16(34)11-32)29-22(35)36-3/h7-8,10,13,16,34H,4-6,11H2,1,3H3,(H,29,35)(H2,26,28,30,31)/t13-,16-/s2
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142829
PNG
(US8940736, 391)
Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C
Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142817
PNG
(US8940736, 285)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@@H]1F)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H22ClFN10O2/c1-37-23(36)31-16-4-5-34(11-15(16)25)18-7-12(8-26)6-17(19(18)24)30-22-32-20(29-13-2-3-13)21-28-10-14(9-27)35(21)33-22/h6-7,10,13,15-16H,2-5,11H2,1H3,(H,31,36)(H2,29,30,32,33)/t15-,16+/s2
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n/an/a 0.140n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142774
PNG
(US8940736, 6)
Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12
Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142784
PNG
(US8940736, 117)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N
Show InChI InChI=1/C25H27ClN10O2S/c26-22-20(32-25-33-23(31-16-1-2-16)24-29-13-19(12-28)36(24)34-25)9-15(11-27)10-21(22)35-6-3-17(4-7-35)30-18-5-8-39(37,38)14-18/h9-10,13,16-18,30H,1-8,14H2,(H2,31,32,33,34)
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142806
PNG
(US8940736, 229)
Show SMILES CC(=O)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C23H22ClN9O/c1-13(34)32-6-4-15(5-7-32)18-8-14(10-25)9-19(20(18)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)33(22)31-23/h8-9,12,15-16H,2-7H2,1H3,(H2,28,29,30,31)
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n/an/a 0.160n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142834
PNG
(US8940736, 399)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C=C)C#N
Show InChI InChI=1S/C18H13ClN8/c1-2-11-5-10(7-20)6-14(15(11)19)24-18-25-16(23-12-3-4-12)17-22-9-13(8-21)27(17)26-18/h2,5-6,9,12H,1,3-4H2,(H2,23,24,25,26)
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n/an/a 0.160n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142835
PNG
(US8940736, 402)
Show SMILES OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C17H13ClN8O/c18-14-10(8-27)3-9(5-19)4-13(14)23-17-24-15(22-11-1-2-11)16-21-7-12(6-20)26(16)25-17/h3-4,7,11,27H,1-2,8H2,(H2,22,23,24,25)
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n/an/a 0.160n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142775
PNG
(US8940736, 7)
Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)
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n/an/a 0.170n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142778
PNG
(US8940736, 55)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCN(CC1)C1CCOC1)C#N
Show InChI InChI=1/C24H25ClN10O/c25-21-19(30-24-31-22(29-16-1-2-16)23-28-13-18(12-27)35(23)32-24)9-15(11-26)10-20(21)34-6-4-33(5-7-34)17-3-8-36-14-17/h9-10,13,16-17H,1-8,14H2,(H2,29,30,31,32)
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142806
PNG
(US8940736, 229)
Show SMILES CC(=O)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C23H22ClN9O/c1-13(34)32-6-4-15(5-7-32)18-8-14(10-25)9-19(20(18)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)33(22)31-23/h8-9,12,15-16H,2-7H2,1H3,(H2,28,29,30,31)
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n/an/a 0.210n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142818
PNG
(US8940736, 313)
Show SMILES FC1CN(CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)c1Cl)C#N)C1COC1
Show InChI InChI=1/C24H24ClFN10O/c1-28-20-9-29-23-22(30-16-2-3-16)32-24(33-36(20)23)31-18-6-14(8-27)7-19(21(18)25)35-5-4-34(10-15(26)11-35)17-12-37-13-17/h6-7,9,15-17H,2-5,10-13H2,(H2,30,31,32,33)
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n/an/a 0.210n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142832
PNG
(US8940736, 395)
Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N
Show InChI InChI=1/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/s2
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n/an/a 0.210n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142793
PNG
(US8940736, 161)
Show SMILES COC1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C24H25ClN10O/c1-36-18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)
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n/an/a 0.210n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142784
PNG
(US8940736, 117)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N
Show InChI InChI=1/C25H27ClN10O2S/c26-22-20(32-25-33-23(31-16-1-2-16)24-29-13-19(12-28)36(24)34-25)9-15(11-27)10-21(22)35-6-3-17(4-7-35)30-18-5-8-39(37,38)14-18/h9-10,13,16-18,30H,1-8,14H2,(H2,31,32,33,34)
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n/an/a 0.220n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142832
PNG
(US8940736, 395)
Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N
Show InChI InChI=1/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/s2
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n/an/a 0.220n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142777
PNG
(US8940736, 49)
Show SMILES Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
Show InChI InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)
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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142836
PNG
(US8940736, 408)
Show SMILES CCNc1nc(Nc2cc(cc(N3CCN(CC3)C3COC3)c2Cl)C#N)nn2c(cnc12)C#N
Show InChI InChI=1S/C22H23ClN10O/c1-2-26-20-21-27-11-15(10-25)33(21)30-22(29-20)28-17-7-14(9-24)8-18(19(17)23)32-5-3-31(4-6-32)16-12-34-13-16/h7-8,11,16H,2-6,12-13H2,1H3,(H2,26,28,29,30)
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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142802
PNG
(US8940736, 207)
Show SMILES CN1CCC(=CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C22H20ClN9/c1-31-6-4-14(5-7-31)17-8-13(10-24)9-18(19(17)23)28-22-29-20(27-15-2-3-15)21-26-12-16(11-25)32(21)30-22/h4,8-9,12,15H,2-3,5-7H2,1H3,(H2,27,28,29,30)
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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142834
PNG
(US8940736, 399)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C=C)C#N
Show InChI InChI=1S/C18H13ClN8/c1-2-11-5-10(7-20)6-14(15(11)19)24-18-25-16(23-12-3-4-12)17-22-9-13(8-21)27(17)26-18/h2,5-6,9,12H,1,3-4H2,(H2,23,24,25,26)
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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142792
PNG
(US8940736, 160)
Show SMILES CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C24H25ClN10O2S/c1-38(36,37)18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)
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n/an/a 0.240n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142820
PNG
(US8940736, 319)
Show SMILES CC(=O)N1CC(C1)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C26H27ClN10O/c1-15(38)36-13-20(14-36)35-6-4-17(5-7-35)21-8-16(10-28)9-22(23(21)27)32-26-33-24(31-18-2-3-18)25-30-12-19(11-29)37(25)34-26/h8-9,12,17-18,20H,2-7,13-14H2,1H3,(H2,31,32,33,34)
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n/an/a 0.25n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142799
PNG
(US8940736, 179)
Show SMILES O[C@@H]1CN(CC[C@H]1NC(=O)OC1COC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C25H25ClN10O4/c26-21-18(31-24-33-22(30-14-1-2-14)23-29-9-15(8-28)36(23)34-24)5-13(7-27)6-19(21)35-4-3-17(20(37)10-35)32-25(38)40-16-11-39-12-16/h5-6,9,14,16-17,20,37H,1-4,10-12H2,(H,32,38)(H2,30,31,33,34)/t17-,20-/s2
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n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142794
PNG
(US8940736, 163)
Show SMILES COC(=O)N[C@@H]1CN(C[C@H]1C)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C26H28ClN11O2/c1-14-10-36(13-20(14)33-26(39)40-2)18-11-37(12-18)21-6-15(7-28)5-19(22(21)27)32-25-34-23(31-16-3-4-16)24-30-9-17(8-29)38(24)35-25/h5-6,9,14,16,18,20H,3-4,10-13H2,1-2H3,(H,33,39)(H2,31,32,34,35)/t14-,20-/s2
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n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142795
PNG
(US8940736, 167)
Show SMILES OC1CN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C22H21ClN10O/c23-19-17(3-12(5-24)4-18(19)32-8-15(9-32)31-10-16(34)11-31)28-22-29-20(27-13-1-2-13)21-26-7-14(6-25)33(21)30-22/h3-4,7,13,15-16,34H,1-2,8-11H2,(H2,27,28,29,30)
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n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142796
PNG
(US8940736, 173)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H23ClN10O3/c1-37-23(36)30-15-4-5-33(11-18(15)35)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18,35H,2-5,11H2,1H3,(H,30,36)(H2,28,29,31,32)/t15-,18-/s2
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n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142807
PNG
(US8940736, 238)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C1CCN(CC1)C(=O)OC1COC1)C#N
Show InChI InChI=1S/C25H24ClN9O3/c26-21-19(15-3-5-34(6-4-15)25(36)38-18-12-37-13-18)7-14(9-27)8-20(21)31-24-32-22(30-16-1-2-16)23-29-11-17(10-28)35(23)33-24/h7-8,11,15-16,18H,1-6,12-13H2,(H2,30,31,32,33)
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n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142831
PNG
(US8940736, 394)
Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@H](C)O)CC2)nn2c(cnc12)C#N
Show InChI InChI=1/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142816
PNG
(US8940736, 281)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/s2
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n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142831
PNG
(US8940736, 394)
Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@H](C)O)CC2)nn2c(cnc12)C#N
Show InChI InChI=1/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142779
PNG
(US8940736, 57)
Show SMILES C[C@@H](O)CN1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H25ClN10O/c1-14(35)13-32-4-6-33(7-5-32)19-9-15(10-25)8-18(20(19)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)34(22)31-23/h8-9,12,14,16,35H,2-7,13H2,1H3,(H2,28,29,30,31)/t14-/s2
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US Patent
n/an/a 0.280n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142820
PNG
(US8940736, 319)
Show SMILES CC(=O)N1CC(C1)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C26H27ClN10O/c1-15(38)36-13-20(14-36)35-6-4-17(5-7-35)21-8-16(10-28)9-22(23(21)27)32-26-33-24(31-18-2-3-18)25-30-12-19(11-29)37(25)34-26/h8-9,12,17-18,20H,2-7,13-14H2,1H3,(H2,31,32,33,34)
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US Patent
n/an/a 0.280n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142778
PNG
(US8940736, 55)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCN(CC1)C1CCOC1)C#N
Show InChI InChI=1/C24H25ClN10O/c25-21-19(30-24-31-22(29-16-1-2-16)23-28-13-18(12-27)35(23)32-24)9-15(11-26)10-20(21)34-6-4-33(5-7-34)17-3-8-36-14-17/h9-10,13,16-17H,1-8,14H2,(H2,29,30,31,32)
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US Patent
n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142818
PNG
(US8940736, 313)
Show SMILES FC1CN(CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)c1Cl)C#N)C1COC1
Show InChI InChI=1/C24H24ClFN10O/c1-28-20-9-29-23-22(30-16-2-3-16)32-24(33-36(20)23)31-18-6-14(8-27)7-19(21(18)25)35-5-4-34(10-15(26)11-35)17-12-37-13-17/h6-7,9,15-17H,2-5,10-13H2,(H2,30,31,32,33)
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US Patent
n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142790
PNG
(US8940736, 133)
Show SMILES O[C@H]1C[C@H](C1)NC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C25H27ClN10O/c26-22-20(32-25-33-23(31-15-1-2-15)24-29-13-18(12-28)36(24)34-25)7-14(11-27)8-21(22)35-5-3-16(4-6-35)30-17-9-19(37)10-17/h7-8,13,15-17,19,30,37H,1-6,9-10H2,(H2,31,32,33,34)/t17-,19+
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142795
PNG
(US8940736, 167)
Show SMILES OC1CN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C22H21ClN10O/c23-19-17(3-12(5-24)4-18(19)32-8-15(9-32)31-10-16(34)11-31)28-22-29-20(27-13-1-2-13)21-26-7-14(6-25)33(21)30-22/h3-4,7,13,15-16,34H,1-2,8-11H2,(H2,27,28,29,30)
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142779
PNG
(US8940736, 57)
Show SMILES C[C@@H](O)CN1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H25ClN10O/c1-14(35)13-32-4-6-33(7-5-32)19-9-15(10-25)8-18(20(19)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)34(22)31-23/h8-9,12,14,16,35H,2-7,13H2,1H3,(H2,28,29,30,31)/t14-/s2
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142793
PNG
(US8940736, 161)
Show SMILES COC1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C24H25ClN10O/c1-36-18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)
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US Patent
n/an/a 0.310n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142802
PNG
(US8940736, 207)
Show SMILES CN1CCC(=CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C22H20ClN9/c1-31-6-4-14(5-7-31)17-8-13(10-24)9-18(19(17)23)28-22-29-20(27-15-2-3-15)21-26-12-16(11-25)32(21)30-22/h4,8-9,12,15H,2-3,5-7H2,1H3,(H2,27,28,29,30)
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US Patent
n/an/a 0.310n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM142797
PNG
(US8940736, 174)
Show SMILES COC(=O)N[C@H]1CCN(C[C@@H]1O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H23ClN10O3/c1-37-23(36)30-15-4-5-33(11-18(15)35)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18,35H,2-5,11H2,1H3,(H,30,36)(H2,28,29,31,32)/t15-,18-/s2
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US Patent
n/an/a 0.350n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142827
PNG
(US8940736, 382)
Show SMILES CN1CCN(CC1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)c1F)C#N
Show InChI InChI=1S/C24H26FN11/c1-27-20-12-28-23-22(29-16-3-4-16)31-24(32-36(20)23)30-18-9-15(11-26)10-19(21(18)25)35-13-17(14-35)34-7-5-33(2)6-8-34/h9-10,12,16-17H,3-8,13-14H2,2H3,(H2,29,30,31,32)
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n/an/a 0.390n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
Casein kinase II alpha/beta


(Homo sapiens (human))
BDBM142796
PNG
(US8940736, 173)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H23ClN10O3/c1-37-23(36)30-15-4-5-33(11-18(15)35)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18,35H,2-5,11H2,1H3,(H,30,36)(H2,28,29,31,32)/t15-,18-/s2
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US Patent
n/an/a 0.410n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
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