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Patent code US10550125

Compile Data Set for Download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM431900
PNG
(US10550125, Example 4)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)CC(C)(C)COP(O)(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C30H37ClN11O9P/c1-5-35-26-27-36-15-20(14-33)42(27)38-28(37-26)41(29(45)50-17-49-23(43)12-30(3,4)16-51-52(46,47)48)22-11-19(13-32)10-21(24(22)31)40-8-6-39(7-9-40)18(2)25(34)44/h10-11,15,18H,5-9,12,16-17H2,1-4H3,(H2,34,44)(H,35,37,38)(H2,46,47,48)/t18-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM431891
PNG
(US10550125, Example 1)
Show SMILES CCNc1nc(Nc2cc(cc(N3CCN(CC3)[C@@H](C)C(N)=O)c2Cl)C#N)nn2c(cnc12)C#N
Show InChI InChI=1S/C22H24ClN11O/c1-3-27-20-21-28-12-15(11-25)34(21)31-22(30-20)29-16-8-14(10-24)9-17(18(16)23)33-6-4-32(5-7-33)13(2)19(26)35/h8-9,12-13H,3-7H2,1-2H3,(H2,26,35)(H2,27,29,30,31)/t13-/m0/s1
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Bristol-Myers Squibb Company

US Patent




US Patent US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM431891
PNG
(US10550125, Example 1)
Show SMILES CCNc1nc(Nc2cc(cc(N3CCN(CC3)[C@@H](C)C(N)=O)c2Cl)C#N)nn2c(cnc12)C#N
Show InChI InChI=1S/C22H24ClN11O/c1-3-27-20-21-28-12-15(11-25)34(21)31-22(30-20)29-16-8-14(10-24)9-17(18(16)23)33-6-4-32(5-7-33)13(2)19(26)35/h8-9,12-13H,3-7H2,1-2H3,(H2,26,35)(H2,27,29,30,31)/t13-/m0/s1
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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 US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM431893
PNG
(US10550125, Example 3)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)\C=C\C(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C28H28ClN11O7/c1-3-33-25-26-34-14-18(13-31)40(26)36-27(35-25)39(28(45)47-15-46-22(43)5-4-21(41)42)20-11-17(12-30)10-19(23(20)29)38-8-6-37(7-9-38)16(2)24(32)44/h4-5,10-11,14,16H,3,6-9,15H2,1-2H3,(H2,32,44)(H,41,42)(H,33,35,36)/b5-4+/t16-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM431892
PNG
(US10550125, Example 2)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)Cc1ccc(OP(O)(O)=O)cc1)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C32H33ClN11O9P/c1-3-37-29-30-38-17-22(16-35)44(30)40-31(39-29)43(32(47)52-18-51-26(45)14-20-4-6-23(7-5-20)53-54(48,49)50)25-13-21(15-34)12-24(27(25)33)42-10-8-41(9-11-42)19(2)28(36)46/h4-7,12-13,17,19H,3,8-11,14,18H2,1-2H3,(H2,36,46)(H,37,39,40)(H2,48,49,50)/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent




US Patent US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM431907
PNG
(US10550125, Example 5)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)CC(C)(C)c1c(C)cc(C)cc1OP(O)(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C37H43ClN11O9P/c1-7-42-33-34-43-19-25(18-40)49(34)45-35(44-33)48(27-15-24(17-39)14-26(31(27)38)47-10-8-46(9-11-47)23(4)32(41)51)36(52)57-20-56-29(50)16-37(5,6)30-22(3)12-21(2)13-28(30)58-59(53,54)55/h12-15,19,23H,7-11,16,20H2,1-6H3,(H2,41,51)(H,42,44,45)(H2,53,54,55)/t23-/m0/s1
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Bristol-Myers Squibb Company

US Patent




US Patent US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM431900
PNG
(US10550125, Example 4)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)CC(C)(C)COP(O)(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C30H37ClN11O9P/c1-5-35-26-27-36-15-20(14-33)42(27)38-28(37-26)41(29(45)50-17-49-23(43)12-30(3,4)16-51-52(46,47)48)22-11-19(13-32)10-21(24(22)31)40-8-6-39(7-9-40)18(2)25(34)44/h10-11,15,18H,5-9,12,16-17H2,1-4H3,(H2,34,44)(H,35,37,38)(H2,46,47,48)/t18-/m0/s1
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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 US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM431893
PNG
(US10550125, Example 3)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)\C=C\C(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C28H28ClN11O7/c1-3-33-25-26-34-14-18(13-31)40(26)36-27(35-25)39(28(45)47-15-46-22(43)5-4-21(41)42)20-11-17(12-30)10-19(23(20)29)38-8-6-37(7-9-38)16(2)24(32)44/h4-5,10-11,14,16H,3,6-9,15H2,1-2H3,(H2,32,44)(H,41,42)(H,33,35,36)/b5-4+/t16-/m0/s1
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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 US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM431892
PNG
(US10550125, Example 2)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)Cc1ccc(OP(O)(O)=O)cc1)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C32H33ClN11O9P/c1-3-37-29-30-38-17-22(16-35)44(30)40-31(39-29)43(32(47)52-18-51-26(45)14-20-4-6-23(7-5-20)53-54(48,49)50)25-13-21(15-34)12-24(27(25)33)42-10-8-41(9-11-42)19(2)28(36)46/h4-7,12-13,17,19H,3,8-11,14,18H2,1-2H3,(H2,36,46)(H,37,39,40)(H2,48,49,50)/t19-/m0/s1
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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 US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM431907
PNG
(US10550125, Example 5)
Show SMILES CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)CC(C)(C)c1c(C)cc(C)cc1OP(O)(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N
Show InChI InChI=1S/C37H43ClN11O9P/c1-7-42-33-34-43-19-25(18-40)49(34)45-35(44-33)48(27-15-24(17-39)14-26(31(27)38)47-10-8-46(9-11-47)23(4)32(41)51)36(52)57-20-56-29(50)16-37(5,6)30-22(3)12-21(2)13-28(30)58-59(53,54)55/h12-15,19,23H,7-11,16,20H2,1-6H3,(H2,41,51)(H,42,44,45)(H2,53,54,55)/t23-/m0/s1
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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 US10550125 (2020)


BindingDB Entry DOI: 10.7270/Q21N83JX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%