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Patent code US9546173

Compile Data Set for Download or QSAR
Found 190 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
MAP kinase ERK2


(Homo sapiens (human))
BDBM244193
PNG
(US9546173, cmpd 126 | n-(3,4-dichlorobenzyl)-5,5-d...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N5O2/c1-21(2)15-11-24-19(26-14-5-7-30-8-6-14)27-18(15)12-28(21)20(29)25-10-13-3-4-16(22)17(23)9-13/h3-4,9,11,14H,5-8,10,12H2,1-2H3,(H,25,29)(H,24,26,27)
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244250
PNG
(US9546173, cmpd 170 | n-((r)-1-(3-chlorophenyl)eth...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C)c1cccc(Cl)c1
Show InChI InChI=1S/C21H26ClN5O2/c1-13(15-4-3-5-16(22)10-15)24-21(28)27-12-19-18(14(27)2)11-23-20(26-19)25-17-6-8-29-9-7-17/h3-5,10-11,13-14,17H,6-9,12H2,1-2H3,(H,24,28)(H,23,25,26)/t13-,14?/m1/s1
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n/an/a 1.54n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244182
PNG
((r)-n-(1-(3-fluoro-5-(methylsulfonyl)phenyl)ethyl)...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1cc(F)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H30FN5O4S/c1-14(15-9-16(24)11-18(10-15)34(4,31)32)26-22(30)29-13-20-19(23(29,2)3)12-25-21(28-20)27-17-5-7-33-8-6-17/h9-12,14,17H,5-8,13H2,1-4H3,(H,26,30)(H,25,27,28)/t14-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243225
PNG
((r)-n-(1-(3-chlorophenyl)ethyl)-5,5-dimethyl-2-((t...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1cccc(Cl)c1
Show InChI InChI=1S/C22H28ClN5O2/c1-14(15-5-4-6-16(23)11-15)25-21(29)28-13-19-18(22(28,2)3)12-24-20(27-19)26-17-7-9-30-10-8-17/h4-6,11-12,14,17H,7-10,13H2,1-3H3,(H,25,29)(H,24,26,27)/t14-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243205
PNG
((s)-n-(1-(3-chlorophenyl)-2-hydroxyethyl)-5,5-dime...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C22H28ClN5O3/c1-22(2)17-11-24-20(25-16-6-8-31-9-7-16)26-18(17)12-28(22)21(30)27-19(13-29)14-4-3-5-15(23)10-14/h3-5,10-11,16,19,29H,6-9,12-13H2,1-2H3,(H,27,30)(H,24,25,26)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244191
PNG
(US9546173, cmpd 124 | n-(4-chloro-3-fluorobenzyl)-...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H25ClFN5O2/c1-21(2)15-11-24-19(26-14-5-7-30-8-6-14)27-18(15)12-28(21)20(29)25-10-13-3-4-16(22)17(23)9-13/h3-4,9,11,14H,5-8,10,12H2,1-2H3,(H,25,29)(H,24,26,27)
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244176
PNG
(US9546173, cmpd 109 | n-(3-chloro-5-(methylsulfony...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cc(Cl)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H28ClN5O4S/c1-22(2)18-12-24-20(26-16-4-6-32-7-5-16)27-19(18)13-28(22)21(29)25-11-14-8-15(23)10-17(9-14)33(3,30)31/h8-10,12,16H,4-7,11,13H2,1-3H3,(H,25,29)(H,24,26,27)
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243224
PNG
(US9546173, cmpd 21 | n-(3-chlorobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H26ClN5O2/c1-21(2)17-12-23-19(25-16-6-8-29-9-7-16)26-18(17)13-27(21)20(28)24-11-14-4-3-5-15(22)10-14/h3-5,10,12,16H,6-9,11,13H2,1-2H3,(H,24,28)(H,23,25,26)
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244184
PNG
((s)-n-(2-hydroxy-1-(3-(methylsulfonyl)phenyl)ethyl...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CO)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H31N5O5S/c1-23(2)18-12-24-21(25-16-7-9-33-10-8-16)26-19(18)13-28(23)22(30)27-20(14-29)15-5-4-6-17(11-15)34(3,31)32/h4-6,11-12,16,20,29H,7-10,13-14H2,1-3H3,(H,27,30)(H,24,25,26)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244190
PNG
(US9546173, cmpd 123 | n-(4-bromobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C21H26BrN5O2/c1-21(2)17-12-23-19(25-16-7-9-29-10-8-16)26-18(17)13-27(21)20(28)24-11-14-3-5-15(22)6-4-14/h3-6,12,16H,7-11,13H2,1-2H3,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243216
PNG
(US9546173, cmpd 13 | n-(3-chloro-5-fluorobenzyl)-5...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cc(F)cc(Cl)c1
Show InChI InChI=1S/C21H25ClFN5O2/c1-21(2)17-11-24-19(26-16-3-5-30-6-4-16)27-18(17)12-28(21)20(29)25-10-13-7-14(22)9-15(23)8-13/h7-9,11,16H,3-6,10,12H2,1-2H3,(H,25,29)(H,24,26,27)
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244198
PNG
((r)-5,5-dimethyl-n-(1-(3-(methylsulfonyl)phenyl)et...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H31N5O4S/c1-15(16-6-5-7-18(12-16)33(4,30)31)25-22(29)28-14-20-19(23(28,2)3)13-24-21(27-20)26-17-8-10-32-11-9-17/h5-7,12-13,15,17H,8-11,14H2,1-4H3,(H,25,29)(H,24,26,27)/t15-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244195
PNG
((s)-n-(1-(3-fluorophenyl)-2-hydroxyethyl)-5,5-dime...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CO)c1cccc(F)c1
Show InChI InChI=1S/C22H28FN5O3/c1-22(2)17-11-24-20(25-16-6-8-31-9-7-16)26-18(17)12-28(22)21(30)27-19(13-29)14-4-3-5-15(23)10-14/h3-5,10-11,16,19,29H,6-9,12-13H2,1-2H3,(H,27,30)(H,24,25,26)/t19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243231
PNG
(US9546173, cmpd 28 | n-(4-chlorobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN5O2/c1-21(2)17-12-23-19(25-16-7-9-29-10-8-16)26-18(17)13-27(21)20(28)24-11-14-3-5-15(22)6-4-14/h3-6,12,16H,7-11,13H2,1-2H3,(H,24,28)(H,23,25,26)
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244188
PNG
(5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O2/c1-21(2)17-12-26-19(28-16-7-9-32-10-8-16)29-18(17)13-30(21)20(31)27-11-14-3-5-15(6-4-14)22(23,24)25/h3-6,12,16H,7-11,13H2,1-2H3,(H,27,31)(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244200
PNG
(5,5-dimethyl-n-(4-phenoxybenzyl)-2-((tetrahydro-2h...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H31N5O3/c1-27(2)23-17-28-25(30-20-12-14-34-15-13-20)31-24(23)18-32(27)26(33)29-16-19-8-10-22(11-9-19)35-21-6-4-3-5-7-21/h3-11,17,20H,12-16,18H2,1-2H3,(H,29,33)(H,28,30,31)
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n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244161
PNG
(US9546173, cmpd 88 | n-(3-carbamoylbenzyl)-5,5-dim...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H28N6O3/c1-22(2)17-12-24-20(26-16-6-8-31-9-7-16)27-18(17)13-28(22)21(30)25-11-14-4-3-5-15(10-14)19(23)29/h3-5,10,12,16H,6-9,11,13H2,1-2H3,(H2,23,29)(H,25,30)(H,24,26,27)
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n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244199
PNG
(5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N5O2S/c1-21(2)17-12-26-19(28-15-7-9-32-10-8-15)29-18(17)13-30(21)20(31)27-11-14-3-5-16(6-4-14)33-22(23,24)25/h3-6,12,15H,7-11,13H2,1-2H3,(H,27,31)(H,26,28,29)
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n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244167
PNG
(US9546173, cmpd 99 | n-(1-(2-fluorobenzyl)-1h-pyra...)
Show SMILES Fc1ccccc1Cn1cc(NC(=O)N2Cc3nc(NC4CCOCC4)ncc3C22CCC2)cn1
Show InChI InChI=1S/C25H28FN7O2/c26-21-5-2-1-4-17(21)14-32-15-19(12-28-32)30-24(34)33-16-22-20(25(33)8-3-9-25)13-27-23(31-22)29-18-6-10-35-11-7-18/h1-2,4-5,12-13,15,18H,3,6-11,14,16H2,(H,30,34)(H,27,29,31)
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243244
PNG
((r)-n-(1-((2-fluorophenyl)sulfonyl)piperidin-3-yl)...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C25H33FN6O4S/c1-25(2)19-14-27-23(28-17-9-12-36-13-10-17)30-21(19)16-32(25)24(33)29-18-6-5-11-31(15-18)37(34,35)22-8-4-3-7-20(22)26/h3-4,7-8,14,17-18H,5-6,9-13,15-16H2,1-2H3,(H,29,33)(H,27,28,30)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244004
PNG
((s)-n-(2-hydroxy-1-phenylethyl)-2'-((tetrahydr...)
Show SMILES OC[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C11CCC1)c1ccccc1
Show InChI InChI=1S/C23H29N5O3/c29-15-20(16-5-2-1-3-6-16)27-22(30)28-14-19-18(23(28)9-4-10-23)13-24-21(26-19)25-17-7-11-31-12-8-17/h1-3,5-6,13,17,20,29H,4,7-12,14-15H2,(H,27,30)(H,24,25,26)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243204
PNG
((s)-n-(2-hydroxy-1-phenylethyl)-5,5-dimethyl-2-((t...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H29N5O3/c1-22(2)17-12-23-20(24-16-8-10-30-11-9-16)25-18(17)13-27(22)21(29)26-19(14-28)15-6-4-3-5-7-15/h3-7,12,16,19,28H,8-11,13-14H2,1-2H3,(H,26,29)(H,23,24,25)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244207
PNG
((r)-n-(1-(2-fluorobenzyl)pyrrolidin-3-yl)-5,5-dime...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C25H33FN6O2/c1-25(2)20-13-27-23(28-18-8-11-34-12-9-18)30-22(20)16-32(25)24(33)29-19-7-10-31(15-19)14-17-5-3-4-6-21(17)26/h3-6,13,18-19H,7-12,14-16H2,1-2H3,(H,29,33)(H,27,28,30)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243226
PNG
((r)-5,5-dimethyl-n-(1-phenylethyl)-2-((tetrahydro-...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C22H29N5O2/c1-15(16-7-5-4-6-8-16)24-21(28)27-14-19-18(22(27,2)3)13-23-20(26-19)25-17-9-11-29-12-10-17/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,24,28)(H,23,25,26)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243235
PNG
((s)-n-(2-amino-1-phenylethyl)-5,5-dimethyl-2-((tet...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CN)c1ccccc1
Show InChI InChI=1S/C22H30N6O2/c1-22(2)17-13-24-20(25-16-8-10-30-11-9-16)26-19(17)14-28(22)21(29)27-18(12-23)15-6-4-3-5-7-15/h3-7,13,16,18H,8-12,14,23H2,1-2H3,(H,27,29)(H,24,25,26)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244194
PNG
((s)-n-(2-hydroxy-1-(m-tolyl)ethyl)-5,5-dimethyl-2-...)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C23H31N5O3/c1-15-5-4-6-16(11-15)20(14-29)27-22(30)28-13-19-18(23(28,2)3)12-24-21(26-19)25-17-7-9-31-10-8-17/h4-6,11-12,17,20,29H,7-10,13-14H2,1-3H3,(H,27,30)(H,24,25,26)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244178
PNG
(US9546173, cmpd 111 | n-(3-(ethylsulfonyl)benzyl)-...)
Show SMILES CCS(=O)(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1
Show InChI InChI=1S/C23H31N5O4S/c1-4-33(30,31)18-7-5-6-16(12-18)13-25-22(29)28-15-20-19(23(28,2)3)14-24-21(27-20)26-17-8-10-32-11-9-17/h5-7,12,14,17H,4,8-11,13,15H2,1-3H3,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243223
PNG
(US9546173, cmpd 20 | n-(3-fluorobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C21H26FN5O2/c1-21(2)17-12-23-19(25-16-6-8-29-9-7-16)26-18(17)13-27(21)20(28)24-11-14-4-3-5-15(22)10-14/h3-5,10,12,16H,6-9,11,13H2,1-2H3,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243239
PNG
(5,5-dimethyl-n-(1-phenylcyclopropyl)-2-((tetrahydr...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N5O2/c1-22(2)18-14-24-20(25-17-8-12-30-13-9-17)26-19(18)15-28(22)21(29)27-23(10-11-23)16-6-4-3-5-7-16/h3-7,14,17H,8-13,15H2,1-2H3,(H,27,29)(H,24,25,26)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243207
PNG
(5,5-dimethyl-n-(3-(methylsulfonyl)benzyl)-2-((tetr...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H29N5O4S/c1-22(2)18-13-23-20(25-16-7-9-31-10-8-16)26-19(18)14-27(22)21(28)24-12-15-5-4-6-17(11-15)32(3,29)30/h4-6,11,13,16H,7-10,12,14H2,1-3H3,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244204
PNG
(5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O4S/c1-21(2)17-12-26-19(28-15-7-9-34-10-8-15)29-18(17)13-30(21)20(31)27-11-14-3-5-16(6-4-14)35(32,33)22(23,24)25/h3-6,12,15H,7-11,13H2,1-2H3,(H,27,31)(H,26,28,29)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243222
PNG
(US9546173, cmpd 19 | n-(3,5-difluorobenzyl)-5,5-di...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C21H25F2N5O2/c1-21(2)17-11-24-19(26-16-3-5-30-6-4-16)27-18(17)12-28(21)20(29)25-10-13-7-14(22)9-15(23)8-13/h7-9,11,16H,3-6,10,12H2,1-2H3,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244196
PNG
(5,5-dimethyl-n-(4-methylbenzyl)-2-((tetrahydro-2h-...)
Show SMILES Cc1ccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)cc1
Show InChI InChI=1S/C22H29N5O2/c1-15-4-6-16(7-5-15)12-24-21(28)27-14-19-18(22(27,2)3)13-23-20(26-19)25-17-8-10-29-11-9-17/h4-7,13,17H,8-12,14H2,1-3H3,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244203
PNG
((r)-n-(1-(4-cyanophenyl)ethyl)-5,5-dimethyl-2-((te...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H28N6O2/c1-15(17-6-4-16(12-24)5-7-17)26-22(30)29-14-20-19(23(29,2)3)13-25-21(28-20)27-18-8-10-31-11-9-18/h4-7,13,15,18H,8-11,14H2,1-3H3,(H,26,30)(H,25,27,28)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244009
PNG
((r)-5-ethyl-n-((s)-2-hydroxy-1-phenylethyl)-5-meth...)
Show SMILES CC[C@@]1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-3-23(2)18-13-24-21(25-17-9-11-31-12-10-17)26-19(18)14-28(23)22(30)27-20(15-29)16-7-5-4-6-8-16/h4-8,13,17,20,29H,3,9-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26)/t20-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244107
PNG
((s)-2-(cyclohexylamino)-n-(2-hydroxy-1-phenylethyl...)
Show SMILES CC1(C)N(Cc2nc(NC3CCCCC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H31N5O2/c1-23(2)18-13-24-21(25-17-11-7-4-8-12-17)26-19(18)14-28(23)22(30)27-20(15-29)16-9-5-3-6-10-16/h3,5-6,9-10,13,17,20,29H,4,7-8,11-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243227
PNG
(US9546173, cmpd 24 | n-(4-fluorobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H26FN5O2/c1-21(2)17-12-23-19(25-16-7-9-29-10-8-16)26-18(17)13-27(21)20(28)24-11-14-3-5-15(22)6-4-14/h3-6,12,16H,7-11,13H2,1-2H3,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244005
PNG
(US9546173, cmpd 78 | n-(4-chlorobenzyl)-5-ethyl-5-...)
Show SMILES CCC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN5O2/c1-3-22(2)18-13-24-20(26-17-8-10-30-11-9-17)27-19(18)14-28(22)21(29)25-12-15-4-6-16(23)7-5-15/h4-7,13,17H,3,8-12,14H2,1-2H3,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243212
PNG
(5,5-dimethyl-n-((1r)-2-phenylcyclopropyl)-2-((tetr...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CC1c1ccccc1
Show InChI InChI=1S/C23H29N5O2/c1-23(2)18-13-24-21(25-16-8-10-30-11-9-16)26-20(18)14-28(23)22(29)27-19-12-17(19)15-6-4-3-5-7-15/h3-7,13,16-17,19H,8-12,14H2,1-2H3,(H,27,29)(H,24,25,26)/t17?,19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244185
PNG
((r)-n-(1-((3-chlorophenyl)sulfonyl)piperidin-3-yl)...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCCN(C1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H33ClN6O4S/c1-25(2)21-14-27-23(28-18-8-11-36-12-9-18)30-22(21)16-32(25)24(33)29-19-6-4-10-31(15-19)37(34,35)20-7-3-5-17(26)13-20/h3,5,7,13-14,18-19H,4,6,8-12,15-16H2,1-2H3,(H,29,33)(H,27,28,30)/t19-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243245
PNG
((r)-5,5-dimethyl-n-(1-(phenylsulfonyl)piperidin-3-...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H34N6O4S/c1-25(2)21-15-26-23(27-18-10-13-35-14-11-18)29-22(21)17-31(25)24(32)28-19-7-6-12-30(16-19)36(33,34)20-8-4-3-5-9-20/h3-5,8-9,15,18-19H,6-7,10-14,16-17H2,1-2H3,(H,28,32)(H,26,27,29)/t19-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243990
PNG
((r)-methyl 3-((6-(((s)-2-hydroxy-1-phenylethyl)car...)
Show SMILES COC(=O)N1CC[C@H](C1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H30N6O4/c1-23(2)17-11-24-20(25-16-9-10-28(12-16)22(32)33-3)26-18(17)13-29(23)21(31)27-19(14-30)15-7-5-4-6-8-15/h4-8,11,16,19,30H,9-10,12-14H2,1-3H3,(H,27,31)(H,24,25,26)/t16-,19-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243249
PNG
(US9546173, cmpd 47 | n-(cyclohexylmethyl)-5,5-dime...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C21H33N5O2/c1-21(2)17-13-22-19(24-16-8-10-28-11-9-16)25-18(17)14-26(21)20(27)23-12-15-6-4-3-5-7-15/h13,15-16H,3-12,14H2,1-2H3,(H,23,27)(H,22,24,25)
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n/an/a 31n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244003
PNG
(US9546173, cmpd 76 | n-(4-chlorobenzyl)-2'-((t...)
Show SMILES Clc1ccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C22CCC2)cc1
Show InChI InChI=1S/C22H26ClN5O2/c23-16-4-2-15(3-5-16)12-25-21(29)28-14-19-18(22(28)8-1-9-22)13-24-20(27-19)26-17-6-10-30-11-7-17/h2-5,13,17H,1,6-12,14H2,(H,25,29)(H,24,26,27)
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n/an/a 31n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243248
PNG
(US9546173, cmpd 46 | n-benzyl-5,5-dimethyl-2-((tet...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H27N5O2/c1-21(2)17-13-22-19(24-16-8-10-28-11-9-16)25-18(17)14-26(21)20(27)23-12-15-6-4-3-5-7-15/h3-7,13,16H,8-12,14H2,1-2H3,(H,23,27)(H,22,24,25)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244206
PNG
((r)-5,5-dimethyl-n-(1-(4-(methylsulfonyl)phenyl)et...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H31N5O4S/c1-15(16-5-7-18(8-6-16)33(4,30)31)25-22(29)28-14-20-19(23(28,2)3)13-24-21(27-20)26-17-9-11-32-12-10-17/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,25,29)(H,24,26,27)/t15-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244172
PNG
(US9546173, cmpd 104 | n-(1-(3-chlorobenzyl)-5-(met...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2)C1
Show InChI InChI=1S/C25H33ClN6O2/c1-25(2)21-13-27-23(28-19-7-10-34-11-8-19)30-22(21)16-32(25)24(33)29-20-6-9-31(15-20)14-17-4-3-5-18(26)12-17/h3-5,12-13,19-20H,6-11,14-16H2,1-2H3,(H,29,33)(H,27,28,30)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244202
PNG
(US9546173, cmpd 135 | n-(3-cyanobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(c1)C#N
Show InChI InChI=1S/C22H26N6O2/c1-22(2)18-13-24-20(26-17-6-8-30-9-7-17)27-19(18)14-28(22)21(29)25-12-16-5-3-4-15(10-16)11-23/h3-5,10,13,17H,6-9,12,14H2,1-2H3,(H,25,29)(H,24,26,27)
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n/an/a 38n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244189
PNG
(US9546173, cmpd 122 | n-(4-cyanobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N6O2/c1-22(2)18-13-24-20(26-17-7-9-30-10-8-17)27-19(18)14-28(22)21(29)25-12-16-5-3-15(11-23)4-6-16/h3-6,13,17H,7-10,12,14H2,1-2H3,(H,25,29)(H,24,26,27)
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n/an/a 38n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244201
PNG
(5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(cc1)S(=O)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O3S/c1-21(2)17-12-26-19(28-15-7-9-33-10-8-15)29-18(17)13-30(21)20(31)27-11-14-3-5-16(6-4-14)34(32)22(23,24)25/h3-6,12,15H,7-11,13H2,1-2H3,(H,27,31)(H,26,28,29)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244173
PNG
(US9546173, cmpd 105 | n-(1-(2-fluorobenzyl)-1h-pyr...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)Nc1cnn(Cc2ccccc2F)c1
Show InChI InChI=1S/C24H28FN7O2/c1-24(2)19-12-26-22(28-17-7-9-34-10-8-17)30-21(19)15-32(24)23(33)29-18-11-27-31(14-18)13-16-5-3-4-6-20(16)25/h3-6,11-12,14,17H,7-10,13,15H2,1-2H3,(H,29,33)(H,26,28,30)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244177
PNG
(5,5-dimethyl-n-(3-(propylsulfonyl)benzyl)-2-((tetr...)
Show SMILES CCCS(=O)(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1
Show InChI InChI=1S/C24H33N5O4S/c1-4-12-34(31,32)19-7-5-6-17(13-19)14-26-23(30)29-16-21-20(24(29,2)3)15-25-22(28-21)27-18-8-10-33-11-9-18/h5-7,13,15,18H,4,8-12,14,16H2,1-3H3,(H,26,30)(H,25,27,28)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244174
PNG
(US9546173, cmpd 107 | n-(3-fluoro-5-(methylsulfony...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cc(F)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H28FN5O4S/c1-22(2)18-12-24-20(26-16-4-6-32-7-5-16)27-19(18)13-28(22)21(29)25-11-14-8-15(23)10-17(9-14)33(3,30)31/h8-10,12,16H,4-7,11,13H2,1-3H3,(H,25,29)(H,24,26,27)
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n/an/a 44n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244168
PNG
(5,5-dimethyl-n-(3-(methylcarbamoyl)benzyl)-2-((tet...)
Show SMILES CNC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1
Show InChI InChI=1S/C23H30N6O3/c1-23(2)18-13-25-21(27-17-7-9-32-10-8-17)28-19(18)14-29(23)22(31)26-12-15-5-4-6-16(11-15)20(30)24-3/h4-6,11,13,17H,7-10,12,14H2,1-3H3,(H,24,30)(H,26,31)(H,25,27,28)
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n/an/a 45n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244180
PNG
((r)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amin...)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC[C@H](C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C26H36N6O4S/c1-18-6-4-8-21(14-18)37(34,35)31-11-5-7-20(16-31)29-25(33)32-17-23-22(26(32,2)3)15-27-24(30-23)28-19-9-12-36-13-10-19/h4,6,8,14-15,19-20H,5,7,9-13,16-17H2,1-3H3,(H,29,33)(H,27,28,30)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243233
PNG
(US9546173, cmpd 30 | n-(benzo[d]thiazol-2-ylmethyl...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1nc2ccccc2s1
Show InChI InChI=1S/C22H26N6O2S/c1-22(2)15-11-23-20(25-14-7-9-30-10-8-14)27-17(15)13-28(22)21(29)24-12-19-26-16-5-3-4-6-18(16)31-19/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,24,29)(H,23,25,27)
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n/an/a 49n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244103
PNG
(US9546173, cmpd 85 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(NC3CCC(=O)NC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H28N6O3/c1-22(2)16-11-24-20(25-15-8-9-19(30)23-10-15)26-17(16)12-28(22)21(31)27-18(13-29)14-6-4-3-5-7-14/h3-7,11,15,18,29H,8-10,12-13H2,1-2H3,(H,23,30)(H,27,31)(H,24,25,26)/t15?,18-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244192
PNG
(US9546173, cmpd 125 | n-(4-methoxybenzyl)-5,5-dime...)
Show SMILES COc1ccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)cc1
Show InChI InChI=1S/C22H29N5O3/c1-22(2)18-13-23-20(25-16-8-10-30-11-9-16)26-19(18)14-27(22)21(28)24-12-15-4-6-17(29-3)7-5-15/h4-7,13,16H,8-12,14H2,1-3H3,(H,24,28)(H,23,25,26)
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n/an/a 56n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244175
PNG
(5,5-dimethyl-n-(4-(methylsulfonyl)benzyl)-2-((tetr...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H29N5O4S/c1-22(2)18-13-23-20(25-16-8-10-31-11-9-16)26-19(18)14-27(22)21(28)24-12-15-4-6-17(7-5-15)32(3,29)30/h4-7,13,16H,8-12,14H2,1-3H3,(H,24,28)(H,23,25,26)
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n/an/a 65n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243220
PNG
((s)-n-(1-cyclohexyl-2-hydroxyethyl)-5,5-dimethyl-2...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CO)C1CCCCC1
Show InChI InChI=1S/C22H35N5O3/c1-22(2)17-12-23-20(24-16-8-10-30-11-9-16)25-18(17)13-27(22)21(29)26-19(14-28)15-6-4-3-5-7-15/h12,15-16,19,28H,3-11,13-14H2,1-2H3,(H,26,29)(H,23,24,25)/t19-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243991
PNG
(US9546173, cmpd 67 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C24H33N5O3/c1-24(2)19-13-25-22(26-17-9-11-18(32-3)12-10-17)27-20(19)14-29(24)23(31)28-21(15-30)16-7-5-4-6-8-16/h4-8,13,17-18,21,30H,9-12,14-15H2,1-3H3,(H,28,31)(H,25,26,27)/t17-,18-,21-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244197
PNG
(US9546173, cmpd 130 | n-(3-(cyclopropylsulfonyl)be...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C24H31N5O4S/c1-24(2)20-14-25-22(27-17-8-10-33-11-9-17)28-21(20)15-29(24)23(30)26-13-16-4-3-5-19(12-16)34(31,32)18-6-7-18/h3-5,12,14,17-18H,6-11,13,15H2,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a 71n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244205
PNG
((r)-n-(3-hydroxy-1-phenylpropyl)-5,5-dimethyl-2-((...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CCO)c1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-23(2)18-14-24-21(25-17-9-12-31-13-10-17)26-20(18)15-28(23)22(30)27-19(8-11-29)16-6-4-3-5-7-16/h3-7,14,17,19,29H,8-13,15H2,1-2H3,(H,27,30)(H,24,25,26)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243211
PNG
((r)-n-(1-(2-fluorobenzyl)piperidin-3-yl)-5,5-dimet...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C26H35FN6O2/c1-26(2)21-14-28-24(29-19-9-12-35-13-10-19)31-23(21)17-33(26)25(34)30-20-7-5-11-32(16-20)15-18-6-3-4-8-22(18)27/h3-4,6,8,14,19-20H,5,7,9-13,15-17H2,1-2H3,(H,30,34)(H,28,29,31)/t20-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243984
PNG
(US9546173, cmpd 60 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(N[C@H]3CC[C@H](O)CC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-23(2)18-12-24-21(25-16-8-10-17(30)11-9-16)26-19(18)13-28(23)22(31)27-20(14-29)15-6-4-3-5-7-15/h3-7,12,16-17,20,29-30H,8-11,13-14H2,1-2H3,(H,27,31)(H,24,25,26)/t16-,17-,20-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 86n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244166
PNG
(US9546173, cmpd 96 | n-phenethyl-2'-((tetrahyd...)
Show SMILES O=C(NCCc1ccccc1)N1Cc2nc(NC3CCOCC3)ncc2C11CCC1
Show InChI InChI=1S/C23H29N5O2/c29-22(24-12-7-17-5-2-1-3-6-17)28-16-20-19(23(28)10-4-11-23)15-25-21(27-20)26-18-8-13-30-14-9-18/h1-3,5-6,15,18H,4,7-14,16H2,(H,24,29)(H,25,26,27)
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n/an/a 90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244160
PNG
(5,5-dimethyl-n-(3-(1-methyl-1h-pyrazol-4-yl)benzyl...)
Show SMILES Cn1cc(cn1)-c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1
Show InChI InChI=1S/C25H31N7O2/c1-25(2)21-14-26-23(29-20-7-9-34-10-8-20)30-22(21)16-32(25)24(33)27-12-17-5-4-6-18(11-17)19-13-28-31(3)15-19/h4-6,11,13-15,20H,7-10,12,16H2,1-3H3,(H,27,33)(H,26,29,30)
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n/an/a 91n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 94n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respective...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243238
PNG
(US9546173, cmpd 35 | n-((5-chloropyridin-2-yl)meth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Cl)cn1
Show InChI InChI=1S/C20H25ClN6O2/c1-20(2)16-11-23-18(25-14-5-7-29-8-6-14)26-17(16)12-27(20)19(28)24-10-15-4-3-13(21)9-22-15/h3-4,9,11,14H,5-8,10,12H2,1-2H3,(H,24,28)(H,23,25,26)
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n/an/a 106n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243253
PNG
((s)-2-((4-fluorophenyl)amino)-n-(2-hydroxy-1-pheny...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccc(F)cc3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H24FN5O2/c1-23(2)18-12-25-21(26-17-10-8-16(24)9-11-17)27-19(18)13-29(23)22(31)28-20(14-30)15-6-4-3-5-7-15/h3-12,20,30H,13-14H2,1-2H3,(H,28,31)(H,25,26,27)/t20-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 112n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244099
PNG
(2-(((1r,4s)-4-cyanocyclohexyl)amino)-n-((s)-2-hydr...)
Show SMILES CC1(C)N(Cc2nc(N[C@H]3CC[C@@H](CC3)C#N)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H30N6O2/c1-24(2)19-13-26-22(27-18-10-8-16(12-25)9-11-18)28-20(19)14-30(24)23(32)29-21(15-31)17-6-4-3-5-7-17/h3-7,13,16,18,21,31H,8-11,14-15H2,1-2H3,(H,29,32)(H,26,27,28)/t16-,18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244217
PNG
((r)-5,5-dimethyl-2-(phenylamino)-n-(1-phenylethyl)...)
Show SMILES CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-16(17-10-6-4-7-11-17)25-22(29)28-15-20-19(23(28,2)3)14-24-21(27-20)26-18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244000
PNG
((s)-n-(2-hydroxy-1-phenylethyl)-2-(isopropylamino)...)
Show SMILES CC(C)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C20H27N5O2/c1-13(2)22-18-21-10-15-16(23-18)11-25(20(15,3)4)19(27)24-17(12-26)14-8-6-5-7-9-14/h5-10,13,17,26H,11-12H2,1-4H3,(H,24,27)(H,21,22,23)/t17-/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243229
PNG
(5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NC(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O2/c1-21(2)16-12-26-19(27-15-8-10-32-11-9-15)28-17(16)13-30(21)20(31)29-18(22(23,24)25)14-6-4-3-5-7-14/h3-7,12,15,18H,8-11,13H2,1-2H3,(H,29,31)(H,26,27,28)
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244162
PNG
(US9546173, cmpd 89 | n-((4-(4-fluorophenyl)thiazol...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1nc(cs1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H27FN6O2S/c1-24(2)18-11-26-22(28-17-7-9-33-10-8-17)30-19(18)13-31(24)23(32)27-12-21-29-20(14-34-21)15-3-5-16(25)6-4-15/h3-6,11,14,17H,7-10,12-13H2,1-2H3,(H,27,32)(H,26,28,30)
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n/an/a 131n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243214
PNG
((s)-2-((4,4-difluorocyclohexyl)amino)-n-(2-hydroxy...)
Show SMILES CC1(C)N(Cc2nc(NC3CCC(F)(F)CC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H29F2N5O2/c1-22(2)17-12-26-20(27-16-8-10-23(24,25)11-9-16)28-18(17)13-30(22)21(32)29-19(14-31)15-6-4-3-5-7-15/h3-7,12,16,19,31H,8-11,13-14H2,1-2H3,(H,29,32)(H,26,27,28)/t19-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244251
PNG
(US9546173, cmpd 171 | US9546173, cmpd 172 | n-((r)...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN5O2/c1-14(16-3-2-4-17(24)11-16)26-23(30)29-13-20-19(21(29)15-5-6-15)12-25-22(28-20)27-18-7-9-31-10-8-18/h2-4,11-12,14-15,18,21H,5-10,13H2,1H3,(H,26,30)(H,25,27,28)/t14-,21?/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244186
PNG
((r)-n-(1-((4-chlorophenyl)sulfonyl)piperidin-3-yl)...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN6O4S/c1-25(2)21-14-27-23(28-18-9-12-36-13-10-18)30-22(21)16-32(25)24(33)29-19-4-3-11-31(15-19)37(34,35)20-7-5-17(26)6-8-20/h5-8,14,18-19H,3-4,9-13,15-16H2,1-2H3,(H,29,33)(H,27,28,30)/t19-/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244187
PNG
(US9546173, cmpd 120 | n-(2-fluorobenzyl)-5,5-dimet...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C21H26FN5O2/c1-21(2)16-12-23-19(25-15-7-9-29-10-8-15)26-18(16)13-27(21)20(28)24-11-14-5-3-4-6-17(14)22/h3-6,12,15H,7-11,13H2,1-2H3,(H,24,28)(H,23,25,26)
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n/an/a 158n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243232
PNG
(US9546173, cmpd 29 | n-(2-chlorobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H26ClN5O2/c1-21(2)16-12-23-19(25-15-7-9-29-10-8-15)26-18(16)13-27(21)20(28)24-11-14-5-3-4-6-17(14)22/h3-6,12,15H,7-11,13H2,1-2H3,(H,24,28)(H,23,25,26)
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n/an/a 159n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244102
PNG
(US9546173, cmpd 84 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CN1CC(CCC1=O)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H30N6O3/c1-23(2)17-11-24-21(25-16-9-10-20(31)28(3)12-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15/h4-8,11,16,19,30H,9-10,12-14H2,1-3H3,(H,27,32)(H,24,25,26)/t16?,19-/m1/s1
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n/an/a 164n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244181
PNG
((r)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amin...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C26H36N6O4S/c1-18-6-8-21(9-7-18)37(34,35)31-12-4-5-20(16-31)29-25(33)32-17-23-22(26(32,2)3)15-27-24(30-23)28-19-10-13-36-14-11-19/h6-9,15,19-20H,4-5,10-14,16-17H2,1-3H3,(H,29,33)(H,27,28,30)/t20-/m1/s1
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n/an/a 176n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243228
PNG
(US9546173, cmpd 25 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(NC3CCCOC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H29N5O3/c1-22(2)17-11-23-20(24-16-9-6-10-30-14-16)25-18(17)12-27(22)21(29)26-19(13-28)15-7-4-3-5-8-15/h3-5,7-8,11,16,19,28H,6,9-10,12-14H2,1-2H3,(H,26,29)(H,23,24,25)/t16?,19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243230
PNG
(US9546173, cmpd 27 | n-benzyl-n,5,5-trimethyl-2-((...)
Show SMILES CN(Cc1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C22H29N5O2/c1-22(2)18-13-23-20(24-17-9-11-29-12-10-17)25-19(18)15-27(22)21(28)26(3)14-16-7-5-4-6-8-16/h4-8,13,17H,9-12,14-15H2,1-3H3,(H,23,24,25)
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n/an/a 202n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244100
PNG
(US9546173, cmpd 82 | US9546173, cmpd 83 | n-((s)-2...)
Show SMILES CN1CCC(CC1=O)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H30N6O3/c1-23(2)17-12-24-21(25-16-9-10-28(3)20(31)11-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15/h4-8,12,16,19,30H,9-11,13-14H2,1-3H3,(H,27,32)(H,24,25,26)/t16?,19-/m1/s1
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n/an/a 208n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244208
PNG
(US9546173, cmpd 147 | n-(1-(2-fluorobenzyl)-5-(hyd...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NC1CC(CO)CN(Cc2ccccc2F)C1
Show InChI InChI=1S/C27H37FN6O3/c1-27(2)22-12-29-25(30-20-7-9-37-10-8-20)32-24(22)16-34(27)26(36)31-21-11-18(17-35)13-33(15-21)14-19-5-3-4-6-23(19)28/h3-6,12,18,20-21,35H,7-11,13-17H2,1-2H3,(H,31,36)(H,29,30,32)
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n/an/a 214n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243999
PNG
(US9546173, cmpd 73 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC(Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1)C1CCCO1
Show InChI InChI=1S/C23H31N5O3/c1-15(20-10-7-11-31-20)25-21-24-12-17-18(26-21)13-28(23(17,2)3)22(30)27-19(14-29)16-8-5-4-6-9-16/h4-6,8-9,12,15,19-20,29H,7,10-11,13-14H2,1-3H3,(H,27,30)(H,24,25,26)/t15?,19-,20?/m1/s1
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n/an/a 315n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243234
PNG
((s)-2-(cyclopropylamino)-n-(2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(NC3CC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H25N5O2/c1-20(2)15-10-21-18(22-14-8-9-14)23-16(15)11-25(20)19(27)24-17(12-26)13-6-4-3-5-7-13/h3-7,10,14,17,26H,8-9,11-12H2,1-2H3,(H,24,27)(H,21,22,23)/t17-/m1/s1
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n/an/a 317n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243217
PNG
(5,5-dimethyl-n-((tetrahydro-2h-pyran-2-yl)methyl)-...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCC1CCCCO1
Show InChI InChI=1S/C20H31N5O3/c1-20(2)16-12-21-18(23-14-6-9-27-10-7-14)24-17(16)13-25(20)19(26)22-11-15-5-3-4-8-28-15/h12,14-15H,3-11,13H2,1-2H3,(H,22,26)(H,21,23,24)
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n/an/a 328n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244251
PNG
(US9546173, cmpd 171 | US9546173, cmpd 172 | n-((r)...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN5O2/c1-14(16-3-2-4-17(24)11-16)26-23(30)29-13-20-19(21(29)15-5-6-15)12-25-22(28-20)27-18-7-9-31-10-8-18/h2-4,11-12,14-15,18,21H,5-10,13H2,1H3,(H,26,30)(H,25,27,28)/t14-,21?/m1/s1
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Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243219
PNG
(5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C20H31N5O3/c1-20(2)16-12-21-18(23-15-5-9-28-10-6-15)24-17(16)13-25(20)19(26)22-11-14-3-7-27-8-4-14/h12,14-15H,3-11,13H2,1-2H3,(H,22,26)(H,21,23,24)
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n/an/a 362n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243215
PNG
(US9546173, cmpd 12 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H27N5O3/c1-21(2)16-10-22-19(23-15-8-9-29-13-15)24-17(16)11-26(21)20(28)25-18(12-27)14-6-4-3-5-7-14/h3-7,10,15,18,27H,8-9,11-13H2,1-2H3,(H,25,28)(H,22,23,24)/t15?,18-/m1/s1
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n/an/a 375n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 448n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243992
PNG
(2-((3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)amino)-...)
Show SMILES CC(=O)N1CC2C(C1)C2Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C24H30N6O3/c1-14(32)29-10-16-17(11-29)21(16)28-22-25-9-18-19(26-22)12-30(24(18,2)3)23(33)27-20(13-31)15-7-5-4-6-8-15/h4-9,16-17,20-21,31H,10-13H2,1-3H3,(H,27,33)(H,25,26,28)/t16?,17?,20-,21?/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244183
PNG
((s)-n-(1-(3-fluoro-5-(methylsulfonyl)phenyl)ethyl)...)
Show SMILES C[C@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1cc(F)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H30FN5O4S/c1-14(15-9-16(24)11-18(10-15)34(4,31)32)26-22(30)29-13-20-19(23(29,2)3)12-25-21(28-20)27-17-5-7-33-8-6-17/h9-12,14,17H,5-8,13H2,1-4H3,(H,26,30)(H,25,27,28)/t14-/m0/s1
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n/an/a 457n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 461n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244169
PNG
(US9546173, cmpd 101 | n-(3-(dimethylcarbamoyl)benz...)
Show SMILES CN(C)C(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1
Show InChI InChI=1S/C24H32N6O3/c1-24(2)19-14-25-22(27-18-8-10-33-11-9-18)28-20(19)15-30(24)23(32)26-13-16-6-5-7-17(12-16)21(31)29(3)4/h5-7,12,14,18H,8-11,13,15H2,1-4H3,(H,26,32)(H,25,27,28)
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n/an/a 492n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243254
PNG
((s)-2-((cyclopropylmethyl)amino)-n-(2-hydroxy-1-ph...)
Show SMILES CC1(C)N(Cc2nc(NCC3CC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H27N5O2/c1-21(2)16-11-23-19(22-10-14-8-9-14)24-17(16)12-26(21)20(28)25-18(13-27)15-6-4-3-5-7-15/h3-7,11,14,18,27H,8-10,12-13H2,1-2H3,(H,25,28)(H,22,23,24)/t18-/m1/s1
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n/an/a 505n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243241
PNG
(US9546173, cmpd 38 | n-((1s,2r)-2-hydroxy-2,3-dihy...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C23H29N5O3/c1-23(2)17-12-24-21(25-15-7-9-31-10-8-15)26-18(17)13-28(23)22(30)27-20-16-6-4-3-5-14(16)11-19(20)29/h3-6,12,15,19-20,29H,7-11,13H2,1-2H3,(H,27,30)(H,24,25,26)/t19-,20+/m1/s1
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n/an/a 516n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243240
PNG
(US9546173, cmpd 37 | n-(cyclopropylmethyl)-5,5-dim...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCC1CC1
Show InChI InChI=1S/C18H27N5O2/c1-18(2)14-10-19-16(21-13-5-7-25-8-6-13)22-15(14)11-23(18)17(24)20-9-12-3-4-12/h10,12-13H,3-9,11H2,1-2H3,(H,20,24)(H,19,21,22)
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n/an/a 541n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243236
PNG
((r)-5,5-dimethyl-n-(3-methylbutan-2-yl)-2-((tetrah...)
Show SMILES CC(C)[C@@H](C)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C19H31N5O2/c1-12(2)13(3)21-18(25)24-11-16-15(19(24,4)5)10-20-17(23-16)22-14-6-8-26-9-7-14/h10,12-14H,6-9,11H2,1-5H3,(H,21,25)(H,20,22,23)/t13-/m1/s1
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n/an/a 596n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244210
PNG
((5,5-dimethyl-2-(phenylamino)-5h-pyrrolo[3,4-d]pyr...)
Show SMILES CN1CCN(CC1(C)C)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C22H30N6O/c1-21(2)15-27(12-11-26(21)5)20(29)28-14-18-17(22(28,3)4)13-23-19(25-18)24-16-9-7-6-8-10-16/h6-10,13H,11-12,14-15H2,1-5H3,(H,23,24,25)
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n/an/a 611n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243247
PNG
((s)-n-(2-hydroxy-1-phenylethyl)-5,5-dimethyl-2-((2...)
Show SMILES Cc1cc(Nc2ncc3c(CN(C(=O)N[C@H](CO)c4ccccc4)C3(C)C)n2)ccn1
Show InChI InChI=1S/C23H26N6O2/c1-15-11-17(9-10-24-15)26-21-25-12-18-19(27-21)13-29(23(18,2)3)22(31)28-20(14-30)16-7-5-4-6-8-16/h4-12,20,30H,13-14H2,1-3H3,(H,28,31)(H,24,25,26,27)/t20-/m1/s1
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n/an/a 625n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244164
PNG
(5-(hydroxymethyl)-5-methyl-n-((r)-1-phenylethyl)-2...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)CO)c1ccccc1
Show InChI InChI=1S/C22H29N5O3/c1-15(16-6-4-3-5-7-16)24-21(29)27-13-19-18(22(27,2)14-28)12-23-20(26-19)25-17-8-10-30-11-9-17/h3-7,12,15,17,28H,8-11,13-14H2,1-2H3,(H,24,29)(H,23,25,26)/t15-,22?/m1/s1
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n/an/a 657n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243256
PNG
(US9546173, cmpd 55 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(N[C@@H]3C[C@H](O)C3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H27N5O3/c1-21(2)16-10-22-19(23-14-8-15(28)9-14)24-17(16)11-26(21)20(29)25-18(12-27)13-6-4-3-5-7-13/h3-7,10,14-15,18,27-28H,8-9,11-12H2,1-2H3,(H,25,29)(H,22,23,24)/t14-,15+,18-/m1/s1
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n/an/a 677n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243213
PNG
((s)-2-((1,1-dioxidotetrahydro-2h-thiopyran-4-yl)am...)
Show SMILES CC1(C)N(Cc2nc(NC3CCS(=O)(=O)CC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H29N5O4S/c1-22(2)17-12-23-20(24-16-8-10-32(30,31)11-9-16)25-18(17)13-27(22)21(29)26-19(14-28)15-6-4-3-5-7-15/h3-7,12,16,19,28H,8-11,13-14H2,1-2H3,(H,26,29)(H,23,24,25)/t19-/m1/s1
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n/an/a 722n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243255
PNG
((s)-2-((3,3-difluorocyclobutyl)amino)-n-(2-hydroxy...)
Show SMILES CC1(C)N(Cc2nc(NC3CC(F)(F)C3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25F2N5O2/c1-20(2)15-10-24-18(25-14-8-21(22,23)9-14)26-16(15)11-28(20)19(30)27-17(12-29)13-6-4-3-5-7-13/h3-7,10,14,17,29H,8-9,11-12H2,1-2H3,(H,27,30)(H,24,25,26)/t17-/m1/s1
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n/an/a 727n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243988
PNG
(2-(((r)-1-acetylpyrrolidin-3-yl)amino)-n-((s)-2-hy...)
Show SMILES CC(=O)N1CC[C@H](C1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H30N6O3/c1-15(31)28-10-9-17(12-28)25-21-24-11-18-19(26-21)13-29(23(18,2)3)22(32)27-20(14-30)16-7-5-4-6-8-16/h4-8,11,17,20,30H,9-10,12-14H2,1-3H3,(H,27,32)(H,24,25,26)/t17-,20-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243243
PNG
((s)-5,5-dimethyl-n-(1-phenylethyl)-2-((tetrahydro-...)
Show SMILES C[C@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C22H29N5O2/c1-15(16-7-5-4-6-8-16)24-21(28)27-14-19-18(22(27,2)3)13-23-20(26-19)25-17-9-11-29-12-10-17/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,24,28)(H,23,25,26)/t15-/m0/s1
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n/an/a 799n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244179
PNG
(5,5-dimethyl-n-(2-(methylsulfonyl)benzyl)-2-((tetr...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C22H29N5O4S/c1-22(2)17-13-23-20(25-16-8-10-31-11-9-16)26-18(17)14-27(22)21(28)24-12-15-6-4-5-7-19(15)32(3,29)30/h4-7,13,16H,8-12,14H2,1-3H3,(H,24,28)(H,23,25,26)
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n/an/a 806n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243983
PNG
(US9546173, cmpd 59 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(N[C@H]3C[C@H](O)C3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H27N5O3/c1-21(2)16-10-22-19(23-14-8-15(28)9-14)24-17(16)11-26(21)20(29)25-18(12-27)13-6-4-3-5-7-13/h3-7,10,14-15,18,27-28H,8-9,11-12H2,1-2H3,(H,25,29)(H,22,23,24)/t14-,15-,18-/m1/s1
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n/an/a 839n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243251
PNG
(US9546173, cmpd 50 | n-ethyl-5,5-dimethyl-2-((tetr...)
Show SMILES CCNC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C16H25N5O2/c1-4-17-15(22)21-10-13-12(16(21,2)3)9-18-14(20-13)19-11-5-7-23-8-6-11/h9,11H,4-8,10H2,1-3H3,(H,17,22)(H,18,19,20)
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n/an/a 839n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243218
PNG
(5,5-dimethyl-n-((tetrahydro-2h-pyran-3-yl)methyl)-...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCC1CCCOC1
Show InChI InChI=1S/C20H31N5O3/c1-20(2)16-11-21-18(23-15-5-8-27-9-6-15)24-17(16)12-25(20)19(26)22-10-14-4-3-7-28-13-14/h11,14-15H,3-10,12-13H2,1-2H3,(H,22,26)(H,21,23,24)
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n/an/a 842n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243206
PNG
(5,5-dimethyl-n-(pyridin-3-ylmethyl)-2-((tetrahydro...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C20H26N6O2/c1-20(2)16-12-22-18(24-15-5-8-28-9-6-15)25-17(16)13-26(20)19(27)23-11-14-4-3-7-21-10-14/h3-4,7,10,12,15H,5-6,8-9,11,13H2,1-2H3,(H,23,27)(H,22,24,25)
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n/an/a 894n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243986
PNG
(US9546173, cmpd 62 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(N[C@@H]3CC[C@H](O)CC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-23(2)18-12-24-21(25-16-8-10-17(30)11-9-16)26-19(18)13-28(23)22(31)27-20(14-29)15-6-4-3-5-7-15/h3-7,12,16-17,20,29-30H,8-11,13-14H2,1-2H3,(H,27,31)(H,24,25,26)/t16-,17+,20-/m1/s1
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n/an/a 896n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 903n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respective...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 906n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243994
PNG
(2-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-n-((...)
Show SMILES CC1(C)N(Cc2nc(NC3CCS(=O)(=O)C3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H27N5O4S/c1-21(2)16-10-22-19(23-15-8-9-31(29,30)13-15)24-17(16)11-26(21)20(28)25-18(12-27)14-6-4-3-5-7-14/h3-7,10,15,18,27H,8-9,11-13H2,1-2H3,(H,25,28)(H,22,23,24)/t15?,18-/m1/s1
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n/an/a 932n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243252
PNG
(US9546173, cmpd 51 | n-isopropyl-5,5-dimethyl-2-((...)
Show SMILES CC(C)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C17H27N5O2/c1-11(2)19-16(23)22-10-14-13(17(22,3)4)9-18-15(21-14)20-12-5-7-24-8-6-12/h9,11-12H,5-8,10H2,1-4H3,(H,19,23)(H,18,20,21)
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n/an/a 938n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244216
PNG
(US9546173, cmpd 155 | n-(1-benzylpyrrolidin-3-yl)-...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NC1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H30N6O/c1-26(2)22-15-27-24(28-20-11-7-4-8-12-20)30-23(22)18-32(26)25(33)29-21-13-14-31(17-21)16-19-9-5-3-6-10-19/h3-12,15,21H,13-14,16-18H2,1-2H3,(H,29,33)(H,27,28,30)
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n/an/a 969n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244008
PNG
((s)-5-ethyl-n-((s)-2-hydroxy-1-phenylethyl)-5-meth...)
Show SMILES CC[C@]1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-3-23(2)18-13-24-21(25-17-9-11-31-12-10-17)26-19(18)14-28(23)22(30)27-20(15-29)16-7-5-4-6-8-16/h4-8,13,17,20,29H,3,9-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26)/t20-,23+/m1/s1
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n/an/a 971n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243250
PNG
(US9546173, cmpd 49 | n,5,5-trimethyl-2-((tetrahydr...)
Show SMILES CNC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C15H23N5O2/c1-15(2)11-8-17-13(18-10-4-6-22-7-5-10)19-12(11)9-20(15)14(21)16-3/h8,10H,4-7,9H2,1-3H3,(H,16,21)(H,17,18,19)
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n/an/a 988n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244100
PNG
(US9546173, cmpd 82 | US9546173, cmpd 83 | n-((s)-2...)
Show SMILES CN1CCC(CC1=O)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H30N6O3/c1-23(2)17-12-24-21(25-16-9-10-28(3)20(31)11-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15/h4-8,12,16,19,30H,9-11,13-14H2,1-3H3,(H,27,32)(H,24,25,26)/t16?,19-/m1/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244212
PNG
((5,5-dimethyl-2-(phenylamino)-5h-pyrrolo[3,4-d]pyr...)
Show SMILES CN1CCN(CC1)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H26N6O/c1-20(2)16-13-21-18(22-15-7-5-4-6-8-15)23-17(16)14-26(20)19(27)25-11-9-24(3)10-12-25/h4-8,13H,9-12,14H2,1-3H3,(H,21,22,23)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respective...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244214
PNG
(5,5-dimethyl-n-(1-methylazetidin-3-yl)-2-(phenylam...)
Show SMILES CN1CC(C1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C19H24N6O/c1-19(2)15-9-20-17(21-13-7-5-4-6-8-13)23-16(15)12-25(19)18(26)22-14-10-24(3)11-14/h4-9,14H,10-12H2,1-3H3,(H,22,26)(H,20,21,23)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243433
PNG
((s)-2-((2-cyanoethyl)amino)-n-(2-hydroxy-1-phenyle...)
Show SMILES CC1(C)N(Cc2nc(NCCC#N)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H24N6O2/c1-20(2)15-11-23-18(22-10-6-9-21)24-16(15)12-26(20)19(28)25-17(13-27)14-7-4-3-5-8-14/h3-5,7-8,11,17,27H,6,10,12-13H2,1-2H3,(H,25,28)(H,22,23,24)/t17-/m1/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244164
PNG
(5-(hydroxymethyl)-5-methyl-n-((r)-1-phenylethyl)-2...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)CO)c1ccccc1
Show InChI InChI=1S/C22H29N5O3/c1-15(16-6-4-3-5-7-16)24-21(29)27-13-19-18(22(27,2)14-28)12-23-20(26-19)25-17-8-10-30-11-9-17/h3-7,12,15,17,28H,8-11,13-14H2,1-2H3,(H,24,29)(H,23,25,26)/t15-,22?/m1/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM244212
PNG
((5,5-dimethyl-2-(phenylamino)-5h-pyrrolo[3,4-d]pyr...)
Show SMILES CN1CCN(CC1)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H26N6O/c1-20(2)16-13-21-18(22-15-7-5-4-6-8-15)23-17(16)14-26(20)19(27)25-11-9-24(3)10-12-25/h4-8,13H,9-12,14H2,1-3H3,(H,21,22,23)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respective...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244215
PNG
((2-benzyl-4-methylpiperazin-1-yl)(5,5-dimethyl-2-(...)
Show SMILES CN1CCN(C(Cc2ccccc2)C1)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C27H32N6O/c1-27(2)23-17-28-25(29-21-12-8-5-9-13-21)30-24(23)19-33(27)26(34)32-15-14-31(3)18-22(32)16-20-10-6-4-7-11-20/h4-13,17,22H,14-16,18-19H2,1-3H3,(H,28,29,30)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244216
PNG
(US9546173, cmpd 155 | n-(1-benzylpyrrolidin-3-yl)-...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NC1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H30N6O/c1-26(2)22-15-27-24(28-20-11-7-4-8-12-20)30-23(22)18-32(26)25(33)29-21-13-14-31(17-21)16-19-9-5-3-6-10-19/h3-12,15,21H,13-14,16-18H2,1-2H3,(H,29,33)(H,27,28,30)
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n/an/a 1.91E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244170
PNG
(US9546173, cmpd 102 | n-(1-(2-fluorobenzyl)-5-(met...)
Show SMILES CNC(=O)C1CC(CN(Cc2ccccc2F)C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C28H38FN7O3/c1-28(2)22-13-31-26(32-20-8-10-39-11-9-20)34-24(22)17-36(28)27(38)33-21-12-19(25(37)30-3)15-35(16-21)14-18-6-4-5-7-23(18)29/h4-7,13,19-21H,8-12,14-17H2,1-3H3,(H,30,37)(H,33,38)(H,31,32,34)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243209
PNG
((s)-5,5-dimethyl-n-(piperidin-3-yl)-2-((tetrahydro...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H]1CCCNC1
Show InChI InChI=1S/C19H30N6O2/c1-19(2)15-11-21-17(22-13-5-8-27-9-6-13)24-16(15)12-25(19)18(26)23-14-4-3-7-20-10-14/h11,13-14,20H,3-10,12H2,1-2H3,(H,23,26)(H,21,22,24)/t14-/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243221
PNG
(5,5-dimethyl-n-(tetrahydro-2h-pyran-4-yl)-2-((tetr...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NC1CCOCC1
Show InChI InChI=1S/C19H29N5O3/c1-19(2)15-11-20-17(21-13-3-7-26-8-4-13)23-16(15)12-24(19)18(25)22-14-5-9-27-10-6-14/h11,13-14H,3-10,12H2,1-2H3,(H,22,25)(H,20,21,23)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243997
PNG
((s)-n-(2-hydroxy-1-phenylethyl)-5,5-dimethyl-2-((1...)
Show SMILES Cn1ccc(Nc2ncc3c(CN(C(=O)N[C@H](CO)c4ccccc4)C3(C)C)n2)n1
Show InChI InChI=1S/C21H25N7O2/c1-21(2)15-11-22-19(25-18-9-10-27(3)26-18)23-16(15)12-28(21)20(30)24-17(13-29)14-7-5-4-6-8-14/h4-11,17,29H,12-13H2,1-3H3,(H,24,30)(H,22,23,25,26)/t17-/m1/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244217
PNG
((r)-5,5-dimethyl-2-(phenylamino)-n-(1-phenylethyl)...)
Show SMILES CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-16(17-10-6-4-7-11-17)25-22(29)28-15-20-19(23(28,2)3)14-24-21(27-20)26-18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,25,29)(H,24,26,27)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244002
PNG
(US9546173, cmpd 75 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(NCC3CCCO3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H29N5O3/c1-22(2)17-12-24-20(23-11-16-9-6-10-30-16)25-18(17)13-27(22)21(29)26-19(14-28)15-7-4-3-5-8-15/h3-5,7-8,12,16,19,28H,6,9-11,13-14H2,1-2H3,(H,26,29)(H,23,24,25)/t16?,19-/m1/s1
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n/an/a 2.64E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243246
PNG
(5,5-dimethyl-n-(4-phenyltetrahydro-2h-pyran-4-yl)-...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NC1(CCOCC1)c1ccccc1
Show InChI InChI=1S/C25H33N5O3/c1-24(2)20-16-26-22(27-19-8-12-32-13-9-19)28-21(20)17-30(24)23(31)29-25(10-14-33-15-11-25)18-6-4-3-5-7-18/h3-7,16,19H,8-15,17H2,1-2H3,(H,29,31)(H,26,27,28)
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n/an/a 2.73E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244215
PNG
((2-benzyl-4-methylpiperazin-1-yl)(5,5-dimethyl-2-(...)
Show SMILES CN1CCN(C(Cc2ccccc2)C1)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C27H32N6O/c1-27(2)23-17-28-25(29-21-12-8-5-9-13-21)30-24(23)19-33(27)26(34)32-15-14-31(3)18-22(32)16-20-10-6-4-7-11-20/h4-13,17,22H,14-16,18-19H2,1-3H3,(H,28,29,30)
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n/an/a 3.03E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243368
PNG
((s)-n-(2-hydroxy-1-phenylethyl)-2-((2-methoxyethyl...)
Show SMILES COCCNc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C20H27N5O3/c1-20(2)15-11-22-18(21-9-10-28-3)23-16(15)12-25(20)19(27)24-17(13-26)14-7-5-4-6-8-14/h4-8,11,17,26H,9-10,12-13H2,1-3H3,(H,24,27)(H,21,22,23)/t17-/m1/s1
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n/an/a 3.48E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243367
PNG
((s)-2-((2-acetamidoethyl)amino)-n-(2-hydroxy-1-phe...)
Show SMILES CC(=O)NCCNc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C21H28N6O3/c1-14(29)22-9-10-23-19-24-11-16-17(25-19)12-27(21(16,2)3)20(30)26-18(13-28)15-7-5-4-6-8-15/h4-8,11,18,28H,9-10,12-13H2,1-3H3,(H,22,29)(H,26,30)(H,23,24,25)/t18-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243987
PNG
(2-(((s)-1-acetylpyrrolidin-3-yl)amino)-n-((s)-2-hy...)
Show SMILES CC(=O)N1CC[C@@H](C1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H30N6O3/c1-15(31)28-10-9-17(12-28)25-21-24-11-18-19(26-21)13-29(23(18,2)3)22(32)27-20(14-30)16-7-5-4-6-8-16/h4-8,11,17,20,30H,9-10,12-14H2,1-3H3,(H,27,32)(H,24,25,26)/t17-,20+/m0/s1
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n/an/a 3.56E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM244217
PNG
((r)-5,5-dimethyl-2-(phenylamino)-n-(1-phenylethyl)...)
Show SMILES CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-16(17-10-6-4-7-11-17)25-22(29)28-15-20-19(23(28,2)3)14-24-21(27-20)26-18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,25,29)(H,24,26,27)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respective...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244218
PNG
(US9546173, cmpd 157 | n-(2-(dimethylamino)ethyl)-5...)
Show SMILES CN(C)CCNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C19H26N6O/c1-19(2)15-12-21-17(22-14-8-6-5-7-9-14)23-16(15)13-25(19)18(26)20-10-11-24(3)4/h5-9,12H,10-11,13H2,1-4H3,(H,20,26)(H,21,22,23)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244238
PNG
(5,5-dimethyl-n-(1-methylpyrrolidin-3-yl)-2-(phenyl...)
Show SMILES CN1CCC(C1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H26N6O/c1-20(2)16-11-21-18(22-14-7-5-4-6-8-14)24-17(16)13-26(20)19(27)23-15-9-10-25(3)12-15/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,23,27)(H,21,22,24)
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n/an/a 3.88E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244163
PNG
(US9546173, cmpd 90 | n-benzyl-5-(hydroxymethyl)-5-...)
Show SMILES CC1(CO)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H27N5O3/c1-21(14-27)17-12-22-19(24-16-7-9-29-10-8-16)25-18(17)13-26(21)20(28)23-11-15-5-3-2-4-6-15/h2-6,12,16,27H,7-11,13-14H2,1H3,(H,23,28)(H,22,24,25)
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n/an/a 4.02E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243998
PNG
(US9546173, cmpd 72 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(NCC3CCCCO3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-23(2)18-13-25-21(24-12-17-10-6-7-11-31-17)26-19(18)14-28(23)22(30)27-20(15-29)16-8-4-3-5-9-16/h3-5,8-9,13,17,20,29H,6-7,10-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26)/t17?,20-/m1/s1
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n/an/a 5.31E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243237
PNG
(5,5-dimethyl-n-((2-oxo-1,2-dihydropyridin-4-yl)met...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cc[nH]c(=O)c1
Show InChI InChI=1S/C20H26N6O3/c1-20(2)15-11-22-18(24-14-4-7-29-8-5-14)25-16(15)12-26(20)19(28)23-10-13-3-6-21-17(27)9-13/h3,6,9,11,14H,4-5,7-8,10,12H2,1-2H3,(H,21,27)(H,23,28)(H,22,24,25)
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n/an/a 5.44E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244212
PNG
((5,5-dimethyl-2-(phenylamino)-5h-pyrrolo[3,4-d]pyr...)
Show SMILES CN1CCN(CC1)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H26N6O/c1-20(2)16-13-21-18(22-15-7-5-4-6-8-15)23-17(16)14-26(20)19(27)25-11-9-24(3)10-12-25/h4-8,13H,9-12,14H2,1-3H3,(H,21,22,23)
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n/an/a 5.57E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243993
PNG
((s)-2-((1-acetylazetidin-3-yl)amino)-n-(2-hydroxy-...)
Show SMILES CC(=O)N1CC(C1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C22H28N6O3/c1-14(30)27-10-16(11-27)24-20-23-9-17-18(25-20)12-28(22(17,2)3)21(31)26-19(13-29)15-7-5-4-6-8-15/h4-9,16,19,29H,10-13H2,1-3H3,(H,26,31)(H,23,24,25)/t19-/m1/s1
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n/an/a 5.58E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244240
PNG
(5,5-dimethyl-n-((1-methyl-1h-imidazol-5-yl)methyl)...)
Show SMILES Cn1cncc1CNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H23N7O/c1-20(2)16-11-22-18(24-14-7-5-4-6-8-14)25-17(16)12-27(20)19(28)23-10-15-9-21-13-26(15)3/h4-9,11,13H,10,12H2,1-3H3,(H,23,28)(H,22,24,25)
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n/an/a 5.65E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244239
PNG
(US9546173, cmpd 159 | n-((1-benzylpyrrolidin-3-yl)...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCC1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C27H32N6O/c1-27(2)23-16-28-25(30-22-11-7-4-8-12-22)31-24(23)19-33(27)26(34)29-15-21-13-14-32(18-21)17-20-9-5-3-6-10-20/h3-12,16,21H,13-15,17-19H2,1-2H3,(H,29,34)(H,28,30,31)
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n/an/a 5.65E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244241
PNG
(US9546173, cmpd 161 | n-((1r,2r)-2-(dimethylamino)...)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C23H32N6O/c1-23(2)17-14-24-21(25-16-10-6-5-7-11-16)26-19(17)15-29(23)22(30)27-18-12-8-9-13-20(18)28(3)4/h5-7,10-11,14,18,20H,8-9,12-13,15H2,1-4H3,(H,27,30)(H,24,25,26)/t18-,20-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244242
PNG
(5,5-dimethyl-n-(oxazol-4-ylmethyl)-2-(phenylamino)...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCc1cocn1
Show InChI InChI=1S/C19H20N6O2/c1-19(2)15-9-20-17(23-13-6-4-3-5-7-13)24-16(15)10-25(19)18(26)21-8-14-11-27-12-22-14/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,26)(H,20,23,24)
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n/an/a 8.21E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243989
PNG
((s)-methyl 3-((6-(((s)-2-hydroxy-1-phenylethyl)car...)
Show SMILES COC(=O)N1CC[C@@H](C1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H30N6O4/c1-23(2)17-11-24-20(25-16-9-10-28(12-16)22(32)33-3)26-18(17)13-29(23)21(31)27-19(14-30)15-7-5-4-6-8-15/h4-8,11,16,19,30H,9-10,12-14H2,1-3H3,(H,27,31)(H,24,25,26)/t16-,19+/m0/s1
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n/an/a 8.83E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244171
PNG
(US9546173, cmpd 103 | n-(1-(3-chlorobenzyl)-5-(met...)
Show SMILES CNC(=O)C1CC(CN(Cc2cccc(Cl)c2)C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C28H38ClN7O3/c1-28(2)23-13-31-26(32-21-7-9-39-10-8-21)34-24(23)17-36(28)27(38)33-22-12-19(25(37)30-3)15-35(16-22)14-18-5-4-6-20(29)11-18/h4-6,11,13,19,21-22H,7-10,12,14-17H2,1-3H3,(H,30,37)(H,33,38)(H,31,32,34)
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n/an/a 9.19E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244243
PNG
(5,5-dimethyl-n-(1-methylpiperidin-4-yl)-2-(phenyla...)
Show SMILES CN1CCC(CC1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C21H28N6O/c1-21(2)17-13-22-19(23-15-7-5-4-6-8-15)25-18(17)14-27(21)20(28)24-16-9-11-26(3)12-10-16/h4-8,13,16H,9-12,14H2,1-3H3,(H,24,28)(H,22,23,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244244
PNG
(US9546173, cmpd 164 | n-(2-hydroxyethyl)-5,5-dimet...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCCO
Show InChI InChI=1S/C17H21N5O2/c1-17(2)13-10-19-15(20-12-6-4-3-5-7-12)21-14(13)11-22(17)16(24)18-8-9-23/h3-7,10,23H,8-9,11H2,1-2H3,(H,18,24)(H,19,20,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244245
PNG
(5,5-dimethyl-2-(phenylamino)-n-(tetrahydro-2h-pyra...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)nc(C3CCOCC3)c12)C(N)=O
Show InChI InChI=1S/C20H25N5O2/c1-20(2)16-15(12-25(20)18(21)26)23-19(22-14-6-4-3-5-7-14)24-17(16)13-8-10-27-11-9-13/h3-7,13H,8-12H2,1-2H3,(H2,21,26)(H,22,23,24)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243210
PNG
((r)-5,5-dimethyl-n-(piperidin-3-yl)-2-((tetrahydro...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@@H]1CCCNC1
Show InChI InChI=1S/C19H30N6O2/c1-19(2)15-11-21-17(22-13-5-8-27-9-6-13)24-16(15)12-25(19)18(26)23-14-4-3-7-20-10-14/h11,13-14,20H,3-10,12H2,1-2H3,(H,23,26)(H,21,22,24)/t14-/m1/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243208
PNG
((s)-n-(1-(2-fluorobenzyl)piperidin-3-yl)-5,5-dimet...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C26H35FN6O2/c1-26(2)21-14-28-24(29-19-9-12-35-13-10-19)31-23(21)17-33(26)25(34)30-20-7-5-11-32(16-20)15-18-6-3-4-8-22(18)27/h3-4,6,8,14,19-20H,5,7,9-13,15-17H2,1-2H3,(H,30,34)(H,28,29,31)/t20-/m0/s1
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n/an/a 1.55E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244242
PNG
(5,5-dimethyl-n-(oxazol-4-ylmethyl)-2-(phenylamino)...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCc1cocn1
Show InChI InChI=1S/C19H20N6O2/c1-19(2)15-9-20-17(23-13-6-4-3-5-7-13)24-16(15)10-25(19)18(26)21-8-14-11-27-12-22-14/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,26)(H,20,23,24)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244246
PNG
(US9546173, cmpd 166 | n-(2-((dimethylamino)methyl)...)
Show SMILES CN(C)Cc1ccccc1CNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C25H30N6O/c1-25(2)21-15-26-23(28-20-12-6-5-7-13-20)29-22(21)17-31(25)24(32)27-14-18-10-8-9-11-19(18)16-30(3)4/h5-13,15H,14,16-17H2,1-4H3,(H,27,32)(H,26,28,29)
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n/an/a 1.63E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respective...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244244
PNG
(US9546173, cmpd 164 | n-(2-hydroxyethyl)-5,5-dimet...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCCO
Show InChI InChI=1S/C17H21N5O2/c1-17(2)13-10-19-15(20-12-6-4-3-5-7-12)21-14(13)11-22(17)16(24)18-8-9-23/h3-7,10,23H,8-9,11H2,1-2H3,(H,18,24)(H,19,20,21)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244245
PNG
(5,5-dimethyl-2-(phenylamino)-n-(tetrahydro-2h-pyra...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)nc(C3CCOCC3)c12)C(N)=O
Show InChI InChI=1S/C20H25N5O2/c1-20(2)16-15(12-25(20)18(21)26)23-19(22-14-6-4-3-5-7-14)24-17(16)13-8-10-27-11-9-13/h3-7,13H,8-12H2,1-2H3,(H2,21,26)(H,22,23,24)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244239
PNG
(US9546173, cmpd 159 | n-((1-benzylpyrrolidin-3-yl)...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCC1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C27H32N6O/c1-27(2)23-16-28-25(30-22-11-7-4-8-12-22)31-24(23)19-33(27)26(34)29-15-21-13-14-32(18-21)17-20-9-5-3-6-10-20/h3-12,16,21H,13-15,17-19H2,1-2H3,(H,29,34)(H,28,30,31)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 2.02E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243985
PNG
((s)-n-(2-hydroxy-1-phenylethyl)-5,5-dimethyl-2-((1...)
Show SMILES CN1CCC(CC1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C23H32N6O2/c1-23(2)18-13-24-21(25-17-9-11-28(3)12-10-17)26-19(18)14-29(23)22(31)27-20(15-30)16-7-5-4-6-8-16/h4-8,13,17,20,30H,9-12,14-15H2,1-3H3,(H,27,31)(H,24,25,26)/t20-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 2.29E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244218
PNG
(US9546173, cmpd 157 | n-(2-(dimethylamino)ethyl)-5...)
Show SMILES CN(C)CCNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C19H26N6O/c1-19(2)15-12-21-17(22-14-8-6-5-7-9-14)23-16(15)13-25(19)18(26)20-10-11-24(3)4/h5-9,12H,10-11,13H2,1-4H3,(H,20,26)(H,21,22,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respective...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM243242
PNG
(US9546173, cmpd 39 | n-((1r,2s)-2-hydroxy-2,3-dihy...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12
Show InChI InChI=1S/C23H29N5O3/c1-23(2)17-12-24-21(25-15-7-9-31-10-8-15)26-18(17)13-28(23)22(30)27-20-16-6-4-3-5-14(16)11-19(20)29/h3-6,12,15,19-20,29H,7-11,13H2,1-2H3,(H,27,30)(H,24,25,26)/t19-,20+/m0/s1
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n/an/a<2.50E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM244217
PNG
((r)-5,5-dimethyl-2-(phenylamino)-n-(1-phenylethyl)...)
Show SMILES CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-16(17-10-6-4-7-11-17)25-22(29)28-15-20-19(23(28,2)3)14-24-21(27-20)26-18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,25,29)(H,24,26,27)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 2.91E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244217
PNG
((r)-5,5-dimethyl-2-(phenylamino)-n-(1-phenylethyl)...)
Show SMILES CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-16(17-10-6-4-7-11-17)25-22(29)28-15-20-19(23(28,2)3)14-24-21(27-20)26-18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,25,29)(H,24,26,27)
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n/an/a 3.53E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244240
PNG
(5,5-dimethyl-n-((1-methyl-1h-imidazol-5-yl)methyl)...)
Show SMILES Cn1cncc1CNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H23N7O/c1-20(2)16-11-22-18(24-14-7-5-4-6-8-14)25-17(16)12-27(20)19(28)23-10-15-9-21-13-26(15)3/h4-9,11,13H,10,12H2,1-3H3,(H,23,28)(H,22,24,25)
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n/an/a 3.66E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244210
PNG
((5,5-dimethyl-2-(phenylamino)-5h-pyrrolo[3,4-d]pyr...)
Show SMILES CN1CCN(CC1(C)C)C(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C22H30N6O/c1-21(2)15-27(12-11-26(21)5)20(29)28-14-18-17(22(28,3)4)13-23-19(25-18)24-16-9-7-6-8-10-16/h6-10,13H,11-12,14-15H2,1-5H3,(H,23,24,25)
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n/an/a 3.77E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244238
PNG
(5,5-dimethyl-n-(1-methylpyrrolidin-3-yl)-2-(phenyl...)
Show SMILES CN1CCC(C1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H26N6O/c1-20(2)16-11-21-18(22-14-7-5-4-6-8-14)24-17(16)13-26(20)19(27)23-15-9-10-25(3)12-15/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,23,27)(H,21,22,24)
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n/an/a 4.11E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244246
PNG
(US9546173, cmpd 166 | n-(2-((dimethylamino)methyl)...)
Show SMILES CN(C)Cc1ccccc1CNC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C25H30N6O/c1-25(2)21-15-26-23(28-20-12-6-5-7-13-20)29-22(21)17-31(25)24(32)27-14-18-10-8-9-11-19(18)16-30(3)4/h5-13,15H,14,16-17H2,1-4H3,(H,27,32)(H,26,28,29)
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n/an/a 4.48E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244243
PNG
(5,5-dimethyl-n-(1-methylpiperidin-4-yl)-2-(phenyla...)
Show SMILES CN1CCC(CC1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C21H28N6O/c1-21(2)17-13-22-19(23-15-7-5-4-6-8-15)25-18(17)14-27(21)20(28)24-16-9-11-26(3)12-10-16/h4-8,13,16H,9-12,14H2,1-3H3,(H,24,28)(H,22,23,25)
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n/an/a 8.35E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244214
PNG
(5,5-dimethyl-n-(1-methylazetidin-3-yl)-2-(phenylam...)
Show SMILES CN1CC(C1)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C19H24N6O/c1-19(2)15-9-20-17(21-13-7-5-4-6-8-13)23-16(15)12-25(19)18(26)22-14-10-24(3)11-14/h4-9,14H,10-12H2,1-3H3,(H,22,26)(H,20,21,23)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244241
PNG
(US9546173, cmpd 161 | n-((1r,2r)-2-(dimethylamino)...)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C23H32N6O/c1-23(2)17-14-24-21(25-16-10-6-5-7-11-16)26-19(17)15-29(23)22(30)27-18-12-8-9-13-20(18)28(3)4/h5-7,10-11,14,18,20H,8-9,12-13,15H2,1-4H3,(H,27,30)(H,24,25,26)/t18-,20-/m1/s1
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n/an/a 1.25E+5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244209
PNG
((s)-n-(2-(dimethylamino)-1-phenylethyl)-5,5-dimeth...)
Show SMILES CN(C)CC(NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c1-25(2)20-15-26-23(27-19-13-9-6-10-14-19)28-22(20)17-31(25)24(32)29-21(16-30(3)4)18-11-7-5-8-12-18/h5-15,21H,16-17H2,1-4H3,(H,29,32)(H,26,27,28)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%