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Patent code US10457669

Compile Data Set for Download or QSAR

Found 927 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418177
PNG
(2-[(1R)-5-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES COc1cc(F)cc(c1)[C@@H](CO)NC(=O)CN1[C@H](C)c2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C29H31ClFN5O5/c1-16-22-4-3-17(27-24(30)13-32-29(35-27)33-20-5-7-41-8-6-20)11-23(22)28(39)36(16)14-26(38)34-25(15-37)18-9-19(31)12-21(10-18)40-2/h3-4,9-13,16,20,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418281
PNG
((2R)-2-[6-(5-chloro-2-{[(2S)-1- hydroxypropan-2-yl...)
Show SMILES COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(N[C@@H](C)CO)ncc1Cl
Show InChI InChI=1S/C27H29ClFN5O5/c1-14(12-35)31-27-30-10-22(28)24(33-27)16-4-5-17-11-34(26(38)21(17)8-16)15(2)25(37)32-23(13-36)18-6-19(29)9-20(7-18)39-3/h4-10,14-15,23,35-36H,11-13H2,1-3H3,(H,32,37)(H,30,31,33)/t14-,15+,23+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417954
PNG
(US10457669, Example 615)
Show SMILES COc1cccc(n1)[C@@H](CO)NC(=O)CN1[C@@H](C)c2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C28H31ClN6O5/c1-16-19-7-6-17(26-21(29)13-30-28(34-26)31-18-8-10-40-11-9-18)12-20(19)27(38)35(16)14-24(37)32-23(15-36)22-4-3-5-25(33-22)39-2/h3-7,12-13,16,18,23,36H,8-11,14-15H2,1-2H3,(H,32,37)(H,30,31,34)/t16-,23+/m0/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417999
PNG
(US10457669, Example 675)
Show SMILES COc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C29H32ClN5O5/c1-17(27(37)33-25(16-36)18-4-3-5-22(12-18)39-2)35-15-20-7-6-19(13-23(20)28(35)38)26-24(30)14-31-29(34-26)32-21-8-10-40-11-9-21/h3-7,12-14,17,21,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t17-,25-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418188
PNG
(2-[(1R)-5-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES CO[C@H]1N(CC(=O)N[C@H](CO)c2cc(F)cc(OC)c2)C(=O)c2cc(ccc12)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C29H31ClFN5O6/c1-40-20-10-17(9-18(31)12-20)24(15-37)34-25(38)14-36-27(39)22-11-16(3-4-21(22)28(36)41-2)26-23(30)13-32-29(35-26)33-19-5-7-42-8-6-19/h3-4,9-13,19,24,28,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t24-,28-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418230
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1nc(ccc1Cl)N1CCN(C)CC1
Show InChI InChI=1S/C32H38Cl2N8O4/c1-19(30(44)37-26(18-43)29-24(33)5-6-27(38-29)41-11-9-40(2)10-12-41)42-17-21-4-3-20(15-23(21)31(42)45)28-25(34)16-35-32(39-28)36-22-7-13-46-14-8-22/h3-6,15-16,19,22,26,43H,7-14,17-18H2,1-2H3,(H,37,44)(H,35,36,39)/t19-,26-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418223
PNG
((2R)-2-(3-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ncc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl
Show InChI InChI=1S/C26H25ClFN9O4/c1-13(24(39)32-21(12-38)14-4-16(28)7-17(5-14)41-3)37-11-20-18(25(37)40)6-15(8-29-20)23-19(27)9-30-26(34-23)33-22-10-31-36(2)35-22/h4-10,13,21,38H,11-12H2,1-3H3,(H,32,39)(H,30,33,34,35)/t13-,21-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418192
PNG
(2-{6-[5-chloro-2- (methylamino)pyrimidin-4-yl]-1-o...)
Show SMILES CCC(O)C(NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC)ncc1Cl)c1cc(C)cc(F)c1
Show InChI InChI=1S/C26H27ClFN5O3/c1-4-21(34)24(17-7-14(2)8-18(28)9-17)31-22(35)13-33-12-16-6-5-15(10-19(16)25(33)36)23-20(27)11-30-26(29-3)32-23/h5-11,21,24,34H,4,12-13H2,1-3H3,(H,31,35)(H,29,30,32)
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418266
PNG
((2R)-2-(6-{5-chloro-2-[(1-methyl-1H- 1,2,3-triazol...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnnn2C)ncc1Cl)c1cccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN11O2/c1-18(24-6-5-7-25(35-24)41-12-10-39(3)11-13-41)34-28(43)19(2)42-17-21-9-8-20(14-22(21)29(42)44)27-23(31)15-32-30(37-27)36-26-16-33-38-40(26)4/h5-9,14-16,18-19H,10-13,17H2,1-4H3,(H,34,43)(H,32,36,37)/t18-,19-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418307
PNG
((2R)-2-(6-}5-chloro-2-[(oxetan-3- yl)amino]pyrimid...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(NC2COC2)ncc1Cl)c1cc(F)cc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C31H35ClFN7O3/c1-18(22-10-23(33)13-25(11-22)39-8-6-38(3)7-9-39)35-29(41)19(2)40-15-21-5-4-20(12-26(21)30(40)42)28-27(32)14-34-31(37-28)36-24-16-43-17-24/h4-5,10-14,18-19,24H,6-9,15-17H2,1-3H3,(H,35,41)(H,34,36,37)/t18-,19-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418229
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1cc(ncc1F)N1CCN(C)CC1
Show InChI InChI=1S/C32H38ClFN8O4/c1-19(30(44)38-27(18-43)24-14-28(35-16-26(24)34)41-9-7-40(2)8-10-41)42-17-21-4-3-20(13-23(21)31(42)45)29-25(33)15-36-32(39-29)37-22-5-11-46-12-6-22/h3-4,13-16,19,22,27,43H,5-12,17-18H2,1-2H3,(H,38,44)(H,36,37,39)/t19-,27-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418305
PNG
((2R)-2-(6-{5-chloro-2-[(2- methylpyrimidin-4-yl)am...)
Show SMILES CCNc1cccc(n1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2ccnc(C)n2)ncc1Cl
Show InChI InChI=1S/C29H30ClN9O3/c1-4-31-24-7-5-6-22(35-24)23(15-40)36-27(41)16(2)39-14-19-9-8-18(12-20(19)28(39)42)26-21(30)13-33-29(38-26)37-25-10-11-32-17(3)34-25/h5-13,16,23,40H,4,14-15H2,1-3H3,(H,31,35)(H,36,41)(H,32,33,34,37,38)/t16-,23-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418276
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1nc(ccc1Cl)N1CCOCC1
Show InChI InChI=1S/C31H35Cl2N7O5/c1-18(29(42)36-25(17-41)28-23(32)4-5-26(37-28)39-8-12-45-13-9-39)40-16-20-3-2-19(14-22(20)30(40)43)27-24(33)15-34-31(38-27)35-21-6-10-44-11-7-21/h2-5,14-15,18,21,25,41H,6-13,16-17H2,1H3,(H,36,42)(H,34,35,38)/t18-,25-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417812
PNG
(US10457669, Example 450)
Show SMILES Cc1ccc(F)c(c1)[C@@H](CO)NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C28H29ClFN5O4/c1-16-2-5-23(30)21(10-16)24(15-36)33-25(37)14-35-13-18-4-3-17(11-20(18)27(35)38)26-22(29)12-31-28(34-26)32-19-6-8-39-9-7-19/h2-5,10-12,19,24,36H,6-9,13-15H2,1H3,(H,33,37)(H,31,32,34)/t24-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417711
PNG
(2-(6-{5-bromo-2- [(oxan-4- yl)amino]pyrimidiin-4- ...)
Show SMILES C[C@H](O)[C@@H](NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Br)c1ccccc1
Show InChI InChI=1S/C28H30BrN5O4/c1-17(35)25(18-5-3-2-4-6-18)32-24(36)16-34-15-20-8-7-19(13-22(20)27(34)37)26-23(29)14-30-28(33-26)31-21-9-11-38-12-10-21/h2-8,13-14,17,21,25,35H,9-12,15-16H2,1H3,(H,32,36)(H,30,31,33)/t17-,25+/m0/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418200
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1ccn2ccnc2c1
Show InChI InChI=1S/C29H30ClN7O4/c1-17(27(39)34-24(16-38)18-4-8-36-9-7-31-25(36)13-18)37-15-20-3-2-19(12-22(20)28(37)40)26-23(30)14-32-29(35-26)33-21-5-10-41-11-6-21/h2-4,7-9,12-14,17,21,24,38H,5-6,10-11,15-16H2,1H3,(H,34,39)(H,32,33,35)/t17-,24-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418133
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1csc(C)c1
Show InChI InChI=1S/C27H30ClN5O4S/c1-15-9-19(14-38-15)23(13-34)31-25(35)16(2)33-12-18-4-3-17(10-21(18)26(33)36)24-22(28)11-29-27(32-24)30-20-5-7-37-8-6-20/h3-4,9-11,14,16,20,23,34H,5-8,12-13H2,1-2H3,(H,31,35)(H,29,30,32)/t16-,23-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418300
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1cc(O)cc(F)c1
Show InChI InChI=1S/C28H29ClFN5O5/c1-15(26(38)33-24(14-36)18-8-19(30)11-21(37)9-18)35-13-17-3-2-16(10-22(17)27(35)39)25-23(29)12-31-28(34-25)32-20-4-6-40-7-5-20/h2-3,8-12,15,20,24,36-37H,4-7,13-14H2,1H3,(H,33,38)(H,31,32,34)/t15-,24-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418308
PNG
((2R)-2-[6-(5-chloro-2-{[cis-3- methoxycyclobutyl]a...)
Show SMILES CO[C@@H]1C[C@@H](C1)Nc1ncc(Cl)c(n1)-c1ccc2CN([C@H](C)C(=O)N[C@H](CO)c3cc(F)cc(OC)c3)C(=O)c2c1
Show InChI InChI=1S/C29H31ClFN5O5/c1-15(27(38)34-25(14-37)18-6-19(31)9-21(7-18)40-2)36-13-17-5-4-16(8-23(17)28(36)39)26-24(30)12-32-29(35-26)33-20-10-22(11-20)41-3/h4-9,12,15,20,22,25,37H,10-11,13-14H2,1-3H3,(H,34,38)(H,32,33,35)/t15-,20-,22+,25-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418298
PNG
((2R)-2-(6-{5-chloro-2-[(2- methylpyrimidin-4-yl)am...)
Show SMILES CCNc1cccc(n1)[C@@H](C)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2ccnc(C)n2)ncc1Cl
Show InChI InChI=1S/C29H30ClN9O2/c1-5-31-24-8-6-7-23(36-24)16(2)34-27(40)17(3)39-15-20-10-9-19(13-21(20)28(39)41)26-22(30)14-33-29(38-26)37-25-11-12-32-18(4)35-25/h6-14,16-17H,5,15H2,1-4H3,(H,31,36)(H,34,40)(H,32,33,35,37,38)/t16-,17-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418178
PNG
(2-[(1R)-5-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES COc1cc(F)cc(c1)[C@@H](CO)NC(=O)CN1[C@H](C)c2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl
Show InChI InChI=1S/C27H26ClFN8O4/c1-14-19-5-4-15(25-21(28)10-30-27(34-25)33-23-11-31-36(2)35-23)8-20(19)26(40)37(14)12-24(39)32-22(13-38)16-6-17(29)9-18(7-16)41-3/h4-11,14,22,38H,12-13H2,1-3H3,(H,32,39)(H,30,33,34,35)/t14-,22-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417813
PNG
(US10457669, Example 451)
Show SMILES C[C@H](O)[C@@H](NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)c1ccccc1
Show InChI InChI=1S/C28H30ClN5O4/c1-17(35)25(18-5-3-2-4-6-18)32-24(36)16-34-15-20-8-7-19(13-22(20)27(34)37)26-23(29)14-30-28(33-26)31-21-9-11-38-12-10-21/h2-8,13-14,17,21,25,35H,9-12,15-16H2,1H3,(H,32,36)(H,30,31,33)/t17-,25+/m0/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418273
PNG
((2R)-2-(6-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl)C(=O)N[C@H](CO)c1nc(ccc1F)N(C)C
Show InChI InChI=1S/C27H28ClFN10O3/c1-14(25(41)32-20(13-40)24-19(29)7-8-22(34-24)37(2)3)39-12-16-6-5-15(9-17(16)26(39)42)23-18(28)10-30-27(35-23)33-21-11-31-38(4)36-21/h5-11,14,20,40H,12-13H2,1-4H3,(H,32,41)(H,30,33,35,36)/t14-,20-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418089
PNG
((2R)-2-{6-[5-chloro-2- (methylamino)pyrimidin-4-yl...)
Show SMILES CNc1ncc(Cl)c(n1)-c1ccc2CN([C@H](C)C(=O)N[C@H](CO)c3cccc(n3)N(C)C)C(=O)c2c1
Show InChI InChI=1S/C25H28ClN7O3/c1-14(23(35)30-20(13-34)19-6-5-7-21(29-19)32(3)4)33-12-16-9-8-15(10-17(16)24(33)36)22-18(26)11-28-25(27-2)31-22/h5-11,14,20,34H,12-13H2,1-4H3,(H,30,35)(H,27,28,31)/t14-,20-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418105
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1ccnc(c1)N(C)C
Show InChI InChI=1S/C29H34ClN7O4/c1-17(27(39)34-24(16-38)18-6-9-31-25(13-18)36(2)3)37-15-20-5-4-19(12-22(20)28(37)40)26-23(30)14-32-29(35-26)33-21-7-10-41-11-8-21/h4-6,9,12-14,17,21,24,38H,7-8,10-11,15-16H2,1-3H3,(H,34,39)(H,32,33,35)/t17-,24-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418192
PNG
(2-{6-[5-chloro-2- (methylamino)pyrimidin-4-yl]-1-o...)
Show SMILES CCC(O)C(NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC)ncc1Cl)c1cc(C)cc(F)c1
Show InChI InChI=1S/C26H27ClFN5O3/c1-4-21(34)24(17-7-14(2)8-18(28)9-17)31-22(35)13-33-12-16-6-5-15(10-19(16)25(33)36)23-20(27)11-30-26(29-3)32-23/h5-11,21,24,34H,4,12-13H2,1-3H3,(H,31,35)(H,29,30,32)
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417975
PNG
(US10457669, Example 642)
Show SMILES OC[C@@H](NC(=O)CN1Cc2ncc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C27H27ClF2N6O5/c28-20-11-32-27(33-17-4-6-40-7-5-17)35-24(20)16-9-19-21(31-10-16)12-36(25(19)39)13-23(38)34-22(14-37)15-2-1-3-18(8-15)41-26(29)30/h1-3,8-11,17,22,26,37H,4-7,12-14H2,(H,34,38)(H,32,33,35)/t22-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417960
PNG
(US10457669, Example 621)
Show SMILES COc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(N[C@@H](C)CO)ncc1Cl
Show InChI InChI=1S/C27H30ClN5O5/c1-15(13-34)30-27-29-11-22(28)24(32-27)18-7-8-19-12-33(26(37)21(19)10-18)16(2)25(36)31-23(14-35)17-5-4-6-20(9-17)38-3/h4-11,15-16,23,34-35H,12-14H2,1-3H3,(H,31,36)(H,29,30,32)/t15-,16+,23+/m0/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417895
PNG
(US10457669, Example 545)
Show SMILES COc1cccc(c1)[C@H](NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)[C@H](C)O
Show InChI InChI=1S/C29H32ClN5O5/c1-17(36)26(18-4-3-5-22(12-18)39-2)33-25(37)16-35-15-20-7-6-19(13-23(20)28(35)38)27-24(30)14-31-29(34-27)32-21-8-10-40-11-9-21/h3-7,12-14,17,21,26,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t17-,26+/m0/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417753
PNG
(2-[6-(5-chloro-2-{[3- (hydroxymethyl) oxetan-3- yl...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2(CO)COC2)ncc1Cl
Show InChI InChI=1S/C27H28ClN5O5/c1-16(17-4-3-5-20(8-17)37-2)30-23(35)12-33-11-19-7-6-18(9-21(19)25(33)36)24-22(28)10-29-26(31-24)32-27(13-34)14-38-15-27/h3-10,16,34H,11-15H2,1-2H3,(H,30,35)(H,29,31,32)/t16-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418264
PNG
((2R)-2-(3-{5-chloro-2-[(1-methyl-1H- 1,2,3-triazol...)
Show SMILES COc1cc(F)cc(n1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ncc(cc2C1=O)-c1nc(Nc2cn(C)nn2)ncc1Cl
Show InChI InChI=1S/C25H24ClFN10O4/c1-12(23(39)31-19(11-38)17-5-14(27)6-21(30-17)41-3)37-9-18-15(24(37)40)4-13(7-28-18)22-16(26)8-29-25(33-22)32-20-10-36(2)35-34-20/h4-8,10,12,19,38H,9,11H2,1-3H3,(H,31,39)(H,29,32,33)/t12-,19-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418144
PNG
((2R)-2-(6-{5-chloro-2-[(1H-pyrazol-4- yl)amino]pyr...)
Show SMILES COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2cn[nH]c2)ncc1Cl
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418173
PNG
((2R)-2-(6-{5-chloro-2-[(2- methylpyrimidin-4-yl)am...)
Show SMILES COc1cc(ccn1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2ccnc(C)n2)ncc1Cl
Show InChI InChI=1S/C28H27ClN8O4/c1-15(26(39)34-22(14-38)17-6-8-31-24(11-17)41-3)37-13-19-5-4-18(10-20(19)27(37)40)25-21(29)12-32-28(36-25)35-23-7-9-30-16(2)33-23/h4-12,15,22,38H,13-14H2,1-3H3,(H,34,39)(H,30,32,33,35,36)/t15-,22-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417615
PNG
(2-(6-{5-chloro-2-[(oxan- 4-yl)amino]pyrimidin-4- y...)
Show SMILES COc1cccc(n1)[C@@H](CO)NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C27H29ClN6O5/c1-38-24-4-2-3-21(32-24)22(15-35)31-23(36)14-34-13-17-6-5-16(11-19(17)26(34)37)25-20(28)12-29-27(33-25)30-18-7-9-39-10-8-18/h2-6,11-12,18,22,35H,7-10,13-15H2,1H3,(H,31,36)(H,29,30,33)/t22-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418270
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1cc(F)cc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C33H39ClFN7O4/c1-20(31(44)38-29(19-43)23-13-24(35)16-26(14-23)41-9-7-40(2)8-10-41)42-18-22-4-3-21(15-27(22)32(42)45)30-28(34)17-36-33(39-30)37-25-5-11-46-12-6-25/h3-4,13-17,20,25,29,43H,5-12,18-19H2,1-2H3,(H,38,44)(H,36,37,39)/t20-,29-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418091
PNG
((2R)-2-(6-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl)C(=O)N[C@H](CO)c1cc(C)cc(F)c1
Show InChI InChI=1S/C27H26ClFN8O3/c1-14-6-18(8-19(29)7-14)22(13-38)32-25(39)15(2)37-12-17-5-4-16(9-20(17)26(37)40)24-21(28)10-30-27(34-24)33-23-11-31-36(3)35-23/h4-11,15,22,38H,12-13H2,1-3H3,(H,32,39)(H,30,33,34,35)/t15-,22-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418160
PNG
((2R)-2-(6-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES COc1ccc(F)c(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl
Show InChI InChI=1S/C27H26ClFN8O4/c1-14(25(39)32-22(13-38)19-9-17(41-3)6-7-21(19)29)37-12-16-5-4-15(8-18(16)26(37)40)24-20(28)10-30-27(34-24)33-23-11-31-36(2)35-23/h4-11,14,22,38H,12-13H2,1-3H3,(H,32,39)(H,30,33,34,35)/t14-,22-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418147
PNG
((2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin...)
Show SMILES CNc1cccc(n1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C28H32ClN7O4/c1-16(26(38)34-23(15-37)22-4-3-5-24(30-2)33-22)36-14-18-7-6-17(12-20(18)27(36)39)25-21(29)13-31-28(35-25)32-19-8-10-40-11-9-19/h3-7,12-13,16,19,23,37H,8-11,14-15H2,1-2H3,(H,30,33)(H,34,38)(H,31,32,35)/t16-,23-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418097
PNG
((2R)-2-[6-(5-chloro-2-{[(1R,3R)-3- hydroxycyclopen...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(N[C@@H]2CC[C@@H](O)C2)ncc1Cl)c1cccc(n1)N(C)C
Show InChI InChI=1S/C29H34ClN7O3/c1-16(24-6-5-7-25(34-24)36(3)4)32-27(39)17(2)37-15-19-9-8-18(12-22(19)28(37)40)26-23(30)14-31-29(35-26)33-20-10-11-21(38)13-20/h5-9,12,14,16-17,20-21,38H,10-11,13,15H2,1-4H3,(H,32,39)(H,31,33,35)/t16-,17-,20-,21-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418237
PNG
((2R)-2-(6-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl)c1cccc(n1)N1CC[C@@H](C1)N(C)C
Show InChI InChI=1S/C31H36ClN11O2/c1-18(25-7-6-8-27(36-25)42-12-11-22(17-42)40(3)4)35-29(44)19(2)43-16-21-10-9-20(13-23(21)30(43)45)28-24(32)14-33-31(38-28)37-26-15-34-41(5)39-26/h6-10,13-15,18-19,22H,11-12,16-17H2,1-5H3,(H,35,44)(H,33,37,38,39)/t18-,19-,22+/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417704
PNG
(2-[6-(5-chloro-2- {[trans-4- methoxycyclohexyl] am...)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(n1)-c1ccc2CN(CC(=O)N[C@H](CO)c3cccc(OC)c3)C(=O)c2c1
Show InChI InChI=1S/C30H34ClN5O5/c1-40-22-10-8-21(9-11-22)33-30-32-14-25(31)28(35-30)19-6-7-20-15-36(29(39)24(20)13-19)16-27(38)34-26(17-37)18-4-3-5-23(12-18)41-2/h3-7,12-14,21-22,26,37H,8-11,15-17H2,1-2H3,(H,34,38)(H,32,33,35)/t21-,22-,26-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417399
PNG
(2-(6-{5-chloro-2- [(oxan-4-yl)amino] pyrimidin-4-y...)
Show SMILES CC(C)(NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(F)(F)F
Show InChI InChI=1S/C23H25ClF3N5O3/c1-22(2,23(25,26)27)31-18(33)12-32-11-14-4-3-13(9-16(14)20(32)34)19-17(24)10-28-21(30-19)29-15-5-7-35-8-6-15/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,31,33)(H,28,29,30)
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417939
PNG
(US10457669, Example 596)
Show SMILES CC[C@H](O)C(NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)c1ccccc1
Show InChI InChI=1S/C29H32ClN5O4/c1-2-24(36)27(18-6-4-3-5-7-18)33-25(37)17-35-16-20-9-8-19(14-22(20)28(35)38)26-23(30)15-31-29(34-26)32-21-10-12-39-13-11-21/h3-9,14-15,21,24,27,36H,2,10-13,16-17H2,1H3,(H,33,37)(H,31,32,34)/t24-,27?/m0/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417807
PNG
(2-(6-{5-chloro-2- [(oxan-4-yl)amino]- pyrimidin-4-...)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C28H30ClN5O4/c1-17-3-2-4-18(11-17)24(16-35)32-25(36)15-34-14-20-6-5-19(12-22(20)27(34)37)26-23(29)13-30-28(33-26)31-21-7-9-38-10-8-21/h2-6,11-13,21,24,35H,7-10,14-16H2,1H3,(H,32,36)(H,30,31,33)/t24-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418101
PNG
((2R)-2-(6-{5-chloro-2-[(2- methylpyrimidin-4-yl)am...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(Nc2ccnc(C)n2)ncc1Cl)C(=O)N[C@H](CO)c1cc(C)cc(F)c1
Show InChI InChI=1S/C29H27ClFN7O3/c1-15-8-20(10-21(31)9-15)24(14-39)35-27(40)16(2)38-13-19-5-4-18(11-22(19)28(38)41)26-23(30)12-33-29(37-26)36-25-6-7-32-17(3)34-25/h4-12,16,24,39H,13-14H2,1-3H3,(H,35,40)(H,32,33,34,36,37)/t16-,24-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417819
PNG
(US10457669, Example 463)
Show SMILES COc1ccc2CCC(CO)(NC(=O)CN3Cc4ccc(cc4C3=O)-c3nc(NC4CCOCC4)ncc3Cl)c2c1
Show InChI InChI=1S/C30H32ClN5O5/c1-40-22-5-4-18-6-9-30(17-37,24(18)13-22)35-26(38)16-36-15-20-3-2-19(12-23(20)28(36)39)27-25(31)14-32-29(34-27)33-21-7-10-41-11-8-21/h2-5,12-14,21,37H,6-11,15-17H2,1H3,(H,35,38)(H,32,33,34)
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417932
PNG
(2-(6-{5-chloro-2- [(oxan-4- yl)amino]pyrimidin-4- ...)
Show SMILES C[C@H](O)C(NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)c1cc(C)cc(F)c1
Show InChI InChI=1S/C29H31ClFN5O4/c1-16-9-20(11-21(31)10-16)26(17(2)37)34-25(38)15-36-14-19-4-3-18(12-23(19)28(36)39)27-24(30)13-32-29(35-27)33-22-5-7-40-8-6-22/h3-4,9-13,17,22,26,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t17-,26?/m0/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM417675
PNG
(2-(6-{5-chloro-2-[(oxan- 4-yl)amino]pyrimidin-4- y...)
Show SMILES OC[C@@H](NC(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H23ClF3N5O4/c23-16-8-27-21(28-14-3-5-35-6-4-14)30-19(16)12-1-2-13-9-31(20(34)15(13)7-12)10-18(33)29-17(11-32)22(24,25)26/h1-2,7-8,14,17,32H,3-6,9-11H2,(H,29,33)(H,27,28,30)/t17-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418018
PNG
(US10457669, Example 697)
Show SMILES COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl
Show InChI InChI=1S/C27H26ClFN8O4/c1-14(25(39)32-22(13-38)17-6-18(29)9-19(7-17)41-3)37-12-16-5-4-15(8-20(16)26(37)40)24-21(28)10-30-27(34-24)33-23-11-31-36(2)35-23/h4-11,14,22,38H,12-13H2,1-3H3,(H,32,39)(H,30,33,34,35)/t14-,22-/m1/s1
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418088
PNG
(2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin-4-yl...)
Show SMILES COc1cccc(c1)[C@H](NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(C)(C)O
Show InChI InChI=1S/C31H36ClN5O5/c1-18(28(38)36-27(31(2,3)40)20-6-5-7-23(14-20)41-4)37-17-21-9-8-19(15-24(21)29(37)39)26-25(32)16-33-30(35-26)34-22-10-12-42-13-11-22/h5-9,14-16,18,22,27,40H,10-13,17H2,1-4H3,(H,36,38)(H,33,34,35)/t18-,27+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%