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Compile Data Set for Download or QSAR

Found 7629 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 2'   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204382
PNG
(US9242996, 461)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](O)C1
Show InChI InChI=1/C25H25F2IN4O4/c26-15-5-14(6-16(28)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)27)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20-,21-,22-/s2
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n/an/a 0.00431n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204241
PNG
(US9242996, 315)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@H](F)C1)c1cc(F)cc(I)c1
Show InChI InChI=1/C25H25F3IN5O2/c26-15-5-14(6-16(29)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)27)23-24(31)32-11-21(33-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19-,20-,22-/s2
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n/an/a 0.00500n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204384
PNG
(US9242996, 463)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)[C@@H](O)C1
Show InChI InChI=1/C25H25F2IN4O4/c26-15-5-14(6-16(28)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)27)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20+,21-,22-/s2
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n/an/a 0.00550n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204469
PNG
(US9242996, 179)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(I)c1
Show InChI InChI=1S/C24H24F2IN5O2/c25-16-7-15(8-17(27)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)26)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1
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n/an/a 0.00612n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204281
PNG
(US9242996, 360)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(I)c1
Show InChI InChI=1/C26H28F2IN5O2/c1-31-12-22(16-8-17(27)11-18(29)9-16)34-26(36)20-7-4-15(10-21(20)28)24-25(30)32-13-23(33-24)14-2-5-19(35)6-3-14/h4,7-11,13-14,19,22,31,35H,2-3,5-6,12H2,1H3,(H2,30,32)(H,34,36)/t14-,19-,22-/s2
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n/an/a 0.00665n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204470
PNG
(US9242996, 180)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Br)c1
Show InChI InChI=1S/C24H24BrF2N5O2/c25-16-7-15(8-17(26)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)27)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1
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n/an/a 0.00671n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204316
PNG
(US9242996, 395)
Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1
Show InChI InChI=1/C25H26F2N4O3S/c1-35-18-9-16(8-17(26)11-18)22(13-32)31-25(33)19-3-2-15(10-20(19)27)23-24(28)29-12-21(30-23)14-4-6-34-7-5-14/h2-3,8-12,14,22,32H,4-7,13H2,1H3,(H2,28,29)(H,31,33)/t22-/s2
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n/an/a 0.00827n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204294
PNG
(US9242996, 373)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(I)c1
Show InChI InChI=1/C25H26F2IN5O2/c26-16-7-15(8-17(28)10-16)21(11-29)33-25(35)19-6-3-14(9-20(19)27)23-24(30)31-12-22(32-23)13-1-4-18(34)5-2-13/h3,6-10,12-13,18,21,34H,1-2,4-5,11,29H2,(H2,30,31)(H,33,35)/t13-,18-,21-/s2
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n/an/a 0.00837n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204168
PNG
(US9242996, 242)
Show SMILES Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1
Show InChI InChI=1/C26H24F3N5O2/c1-14-22(12-32-34(14)2)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)33-24(13-35)17-5-15(10-27)6-19(28)7-17/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,33,36)/t24-/s2
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n/an/a 0.00875n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204405
PNG
(US9242996, 478a)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CCC(=O)NC1
Show InChI InChI=1/C24H22F2IN5O3/c25-15-5-14(6-16(27)8-15)20(11-33)32-24(35)17-3-1-12(7-18(17)26)22-23(28)30-10-19(31-22)13-2-4-21(34)29-9-13/h1,3,5-8,10,13,20,33H,2,4,9,11H2,(H2,28,30)(H,29,34)(H,32,35)/t13-,20-/s2
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n/an/a 0.00900n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204301
PNG
(US9242996, 380)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cccc(Br)c1
Show InChI InChI=1/C25H27BrFN5O2/c1-29-13-21(16-3-2-4-18(26)11-16)32-25(33)19-6-5-17(12-20(19)27)23-24(28)30-14-22(31-23)15-7-9-34-10-8-15/h2-6,11-12,14-15,21,29H,7-10,13H2,1H3,(H2,28,30)(H,32,33)/t21-/s2
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n/an/a 0.00970n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204270
PNG
(US9242996, 344)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H25F2IN4O3/c26-16-7-15(8-17(28)10-16)22(12-33)32-25(35)19-6-3-14(9-20(19)27)23-24(29)30-11-21(31-23)13-1-4-18(34)5-2-13/h3,6-11,13,18,22,33-34H,1-2,4-5,12H2,(H2,29,30)(H,32,35)/t13-,18-,22-/s2
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n/an/a 0.00977n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204255
PNG
(US9242996, 329)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1)C1CCOCC1
Show InChI InChI=1/C25H25F3N4O3/c26-11-14-7-17(9-18(27)8-14)22(13-33)32-25(34)19-2-1-16(10-20(19)28)23-24(29)30-12-21(31-23)15-3-5-35-6-4-15/h1-2,7-10,12,15,22,33H,3-6,11,13H2,(H2,29,30)(H,32,34)/t22-/s2
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n/an/a 0.0100n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204308
PNG
(US9242996, 387)
Show SMILES CSc1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1
Show InChI InChI=1/C25H27FN4O3S/c1-34-18-4-2-3-16(11-18)22(14-31)30-25(32)19-6-5-17(12-20(19)26)23-24(27)28-13-21(29-23)15-7-9-33-10-8-15/h2-6,11-13,15,22,31H,7-10,14H2,1H3,(H2,27,28)(H,30,32)/t22-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50115402
PNG
(CHEMBL3608588)
Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cccc(Cl)c1
Show InChI InChI=1/C25H28ClN5O3/c26-19-4-1-3-17(13-19)23(16-32)31-10-2-9-30-15-18(14-22(30)24(31)33)21-5-8-27-25(29-21)28-20-6-11-34-12-7-20/h1,3-5,8,13-15,20,23,32H,2,6-7,9-12,16H2,(H,27,28,29)/t23-/s2
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n/an/a 0.0100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3788-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.091
BindingDB Entry DOI: 10.7270/Q2G44S3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204274
PNG
(US9242996, 353)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@@H](F)C1)c1cc(F)cc(Br)c1
Show InChI InChI=1/C25H25BrF3N5O2/c26-15-5-14(6-16(27)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)28)23-24(31)32-11-21(33-23)12-2-4-22(35)19(29)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19+,20-,22-/s2
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n/an/a 0.0103n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204496
PNG
(US9242996, 206)
Show SMILES Cc1nn(cc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1)C(F)F
Show InChI InChI=1S/C26H22F5N5O2/c1-13-21(11-36(35-13)26(30)31)17-7-20(24(32)33-10-17)15-2-3-19(22(29)8-15)25(38)34-23(12-37)16-4-14(9-27)5-18(28)6-16/h2-8,10-11,23,26,37H,9,12H2,1H3,(H2,32,33)(H,34,38)/t23-/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204303
PNG
(US9242996, 382)
Show SMILES CO[C@H]1CC[C@@H](CC1)c1cnc(N)c(n1)-c1ccc(C(=O)N[C@H](CN)c2cc(F)cc(I)c2)c(F)c1
Show InChI InChI=1/C26H28F2IN5O2/c1-36-19-5-2-14(3-6-19)23-13-32-25(31)24(33-23)15-4-7-20(21(28)10-15)26(35)34-22(12-30)16-8-17(27)11-18(29)9-16/h4,7-11,13-14,19,22H,2-3,5-6,12,30H2,1H3,(H2,31,32)(H,34,35)/t14-,19-,22-/s2
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n/an/a 0.0107n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204269
PNG
(US9242996, 343)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cccc(I)c1
Show InChI InChI=1/C25H27FIN5O2/c26-20-11-16(23-24(29)30-13-22(31-23)14-4-7-18(33)8-5-14)6-9-19(20)25(34)32-21(12-28)15-2-1-3-17(27)10-15/h1-3,6,9-11,13-14,18,21,33H,4-5,7-8,12,28H2,(H2,29,30)(H,32,34)/t14-,18-,21-/s2
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n/an/a 0.0110n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204471
PNG
(US9242996, 181)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C24H24ClF2N5O2/c25-16-7-15(8-17(26)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)27)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1
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n/an/a 0.0119n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204169
PNG
(US9242996, 243)
Show SMILES Cc1nn(C)cc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1
Show InChI InChI=1/C26H24F3N5O2/c1-14-22(12-34(2)33-14)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)32-24(13-35)17-5-15(10-27)6-19(28)7-17/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,32,36)/t24-/s2
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n/an/a 0.0121n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204185
PNG
(US9242996, 259)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)C1CCOCC1
Show InChI InChI=1/C24H23BrF2N4O3/c25-16-7-15(8-17(26)10-16)21(12-32)31-24(33)18-2-1-14(9-19(18)27)22-23(28)29-11-20(30-22)13-3-5-34-6-4-13/h1-2,7-11,13,21,32H,3-6,12H2,(H2,28,29)(H,31,33)/t21-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204479
PNG
(US9242996, 189)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)[C@@H](F)C1
Show InChI InChI=1S/C25H24F3IN4O3/c26-15-5-14(6-16(29)9-15)21(11-34)33-25(36)17-3-1-13(8-18(17)27)23-24(30)31-10-20(32-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-10,12,19,21-22,34-35H,2,4,7,11H2,(H2,30,31)(H,33,36)/t12-,19-,21+,22-/m0/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204264
PNG
(US9242996, 338)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@H](F)C1)c1cc(F)cc(Br)c1
Show InChI InChI=1/C25H25BrF3N5O2/c26-15-5-14(6-16(27)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)28)23-24(31)32-11-21(33-23)12-2-4-22(35)19(29)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19-,20-,22-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204188
PNG
(US9242996, 262)
Show SMILES Cc1c(cnn1C(F)F)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1
Show InChI InChI=1/C26H22F5N5O2/c1-13-21(11-34-36(13)26(30)31)17-7-20(24(32)33-10-17)15-2-3-19(22(29)8-15)25(38)35-23(12-37)16-4-14(9-27)5-18(28)6-16/h2-8,10-11,23,26,37H,9,12H2,1H3,(H2,32,33)(H,35,38)/t23-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204278
PNG
(US9242996, 357)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)[C@@H](F)C1)c1cc(F)cc(I)c1
Show InChI InChI=1/C26H27F3IN5O2/c1-32-11-21(15-6-16(27)10-17(30)7-15)35-26(37)18-4-2-14(9-19(18)28)24-25(31)33-12-22(34-24)13-3-5-23(36)20(29)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204262
PNG
(US9242996, 336)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Cl)c1
Show InChI InChI=1/C25H26ClF2N5O2/c1-30-12-21(16-8-17(26)11-18(27)9-16)33-25(34)19-3-2-15(10-20(19)28)23-24(29)31-13-22(32-23)14-4-6-35-7-5-14/h2-3,8-11,13-14,21,30H,4-7,12H2,1H3,(H2,29,31)(H,33,34)/t21-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204315
PNG
(US9242996, 394)
Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)-c1cn(C)nc1C
Show InChI InChI=1/C25H24F2N6O2S/c1-13-19(11-33(2)32-13)21-10-29-24(28)23(30-21)14-4-5-18(20(27)8-14)25(35)31-22(12-34)15-6-16(26)9-17(7-15)36-3/h4-11,22,34H,12H2,1-3H3,(H2,28,29)(H,31,35)/t22-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204193
PNG
(US9242996, 267)
Show SMILES Cn1nncc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1
Show InChI InChI=1/C23H19F2IN6O2/c1-32-21(10-29-31-32)14-6-18(22(27)28-9-14)12-2-3-17(19(25)7-12)23(34)30-20(11-33)13-4-15(24)8-16(26)5-13/h2-10,20,33H,11H2,1H3,(H2,27,28)(H,30,34)/t20-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204187
PNG
(US9242996, 261)
Show SMILES Cc1nn(cc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cccc(CF)c2)c(F)c1)C(F)F
Show InChI InChI=1/C26H23F4N5O2/c1-14-21(12-35(34-14)26(29)30)18-8-20(24(31)32-11-18)16-5-6-19(22(28)9-16)25(37)33-23(13-36)17-4-2-3-15(7-17)10-27/h2-9,11-12,23,26,36H,10,13H2,1H3,(H2,31,32)(H,33,37)/t23-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204268
PNG
(US9242996, 342)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H25BrF2N4O3/c26-16-7-15(8-17(27)10-16)22(12-33)32-25(35)19-6-3-14(9-20(19)28)23-24(29)30-11-21(31-23)13-1-4-18(34)5-2-13/h3,6-11,13,18,22,33-34H,1-2,4-5,12H2,(H2,29,30)(H,32,35)/t13-,18-,22-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204272
PNG
(US9242996, 346)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(I)c2)c(F)c1)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H26FIN4O3/c26-20-11-16(23-24(28)29-12-21(30-23)14-4-7-18(33)8-5-14)6-9-19(20)25(34)31-22(13-32)15-2-1-3-17(27)10-15/h1-3,6,9-12,14,18,22,32-33H,4-5,7-8,13H2,(H2,28,29)(H,31,34)/t14-,18-,22-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204480
PNG
(US9242996, 190)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](F)C1
Show InChI InChI=1S/C25H24F3IN4O3/c26-15-5-14(6-16(29)9-15)21(11-34)33-25(36)17-3-1-13(8-18(17)27)23-24(30)31-10-20(32-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-10,12,19,21-22,34-35H,2,4,7,11H2,(H2,30,31)(H,33,36)/t12-,19-,21-,22-/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204297
PNG
(US9242996, 376)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(Br)c1
Show InChI InChI=1/C26H28BrF2N5O2/c1-31-12-22(16-8-17(27)11-18(28)9-16)34-26(36)20-7-4-15(10-21(20)29)24-25(30)32-13-23(33-24)14-2-5-19(35)6-3-14/h4,7-11,13-14,19,22,31,35H,2-3,5-6,12H2,1H3,(H2,30,32)(H,34,36)/t14-,19-,22-/s2
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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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204458
PNG
(US9242996, 133)
Show SMILES Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1
Show InChI InChI=1S/C25H23ClFN5O2/c1-14-21(12-30-32(14)2)17-9-20(24(28)29-11-17)15-6-7-19(22(27)10-15)25(34)31-23(13-33)16-4-3-5-18(26)8-16/h3-12,23,33H,13H2,1-2H3,(H2,28,29)(H,31,34)/t23-/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204386
PNG
(US9242996, 465)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](O)C1
Show InChI InChI=1/C25H25BrF2N4O4/c26-15-5-14(6-16(27)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)28)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20-,21-,22-/s2
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n/an/a 0.0187n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50115401
PNG
(CHEMBL3608589)
Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cc(F)cc(Cl)c1
Show InChI InChI=1/C25H27ClFN5O3/c26-18-10-16(11-19(27)13-18)23(15-33)32-7-1-6-31-14-17(12-22(31)24(32)34)21-2-5-28-25(30-21)29-20-3-8-35-9-4-20/h2,5,10-14,20,23,33H,1,3-4,6-9,15H2,(H,28,29,30)/t23-/s2
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PubMed
n/an/a 0.0190n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3788-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.091
BindingDB Entry DOI: 10.7270/Q2G44S3Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204275
PNG
(US9242996, 354)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)[C@H](F)C1)c1cc(F)cc(Br)c1
Show InChI InChI=1/C25H25BrF3N5O2/c26-15-5-14(6-16(27)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)28)23-24(31)32-11-21(33-23)12-2-4-22(35)19(29)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19+,20+,22-/s2
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n/an/a 0.0194n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204183
PNG
(US9242996, 257)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(CF)c2)c(F)c1)C1CCOCC1
Show InChI InChI=1/C25H26F2N4O3/c26-12-15-2-1-3-17(10-15)22(14-32)31-25(33)19-5-4-18(11-20(19)27)23-24(28)29-13-21(30-23)16-6-8-34-9-7-16/h1-5,10-11,13,16,22,32H,6-9,12,14H2,(H2,28,29)(H,31,33)/t22-/s2
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n/an/a 0.0197n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204317
PNG
(US9242996, 396)
Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C26H28F2N4O3S/c1-36-19-9-16(8-17(27)11-19)23(13-33)32-26(35)20-7-4-15(10-21(20)28)24-25(29)30-12-22(31-24)14-2-5-18(34)6-3-14/h4,7-12,14,18,23,33-34H,2-3,5-6,13H2,1H3,(H2,29,30)(H,32,35)/t14-,18-,23-/s2
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n/an/a 0.0198n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM204166
PNG
(US9242996, 240)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1
Show InChI InChI=1/C25H22F3N5O2/c1-33-12-18(11-31-33)17-7-21(24(29)30-10-17)15-2-3-20(22(28)8-15)25(35)32-23(13-34)16-4-14(9-26)5-19(27)6-16/h2-8,10-12,23,34H,9,13H2,1H3,(H2,29,30)(H,32,35)/t23-/s2
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n/an/a 0.0199n/an/an/an/a7.5n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365046
PNG
(4-(3-benzyl-3,4-dihydro-5- oxa-1,2,2a1- triazaacen...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@@H](Cc3ccccc3)c3nnc(c1)n23
Show InChI InChI=1/C23H20N8O/c1-30-19(8-10-25-30)27-23-24-9-7-18(26-23)16-12-20-28-29-22-17(11-15-5-3-2-4-6-15)14-32-21(13-16)31(20)22/h2-10,12-13,17H,11,14H2,1H3,(H,24,26,27)/t17-/s2
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n/an/a 0.0200n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365048
PNG
(4-(3-benzyl-3,4-dihydro-5- thia-1,2,2a1- triazaace...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2SC[C@@H](Cc3ccccc3)c3nnc(c1)n23
Show InChI InChI=1/C23H20N8S/c1-30-19(8-10-25-30)27-23-24-9-7-18(26-23)16-12-20-28-29-22-17(11-15-5-3-2-4-6-15)14-32-21(13-16)31(20)22/h2-10,12-13,17H,11,14H2,1H3,(H,24,26,27)/t17-/s2
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n/an/a<0.0200n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365050
PNG
(4-(3-benzyl-5-ethyl-4,5- dihydro-3H-1,2,2a1,5- tet...)
Show SMILES CCN1CC(Cc2ccccc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1
Show InChI InChI=1/C25H25N9/c1-3-33-16-19(13-17-7-5-4-6-8-17)24-31-30-22-14-18(15-23(33)34(22)24)20-9-11-26-25(28-20)29-21-10-12-27-32(21)2/h4-12,14-15,19H,3,13,16H2,1-2H3,(H,26,28,29)
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n/an/a<0.0200n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365057
PNG
(4-(3-(4-fluorobenzyl)-4,5- dihydro-3H-1,2,2a1,5- t...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2NCC(Cc3ccc(F)cc3)c3nnc(c1)n23
Show InChI InChI=1/C23H20FN9/c1-32-19(7-9-27-32)29-23-25-8-6-18(28-23)15-11-20-26-13-16(10-14-2-4-17(24)5-3-14)22-31-30-21(12-15)33(20)22/h2-9,11-12,16,26H,10,13H2,1H3,(H,25,28,29)
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n/an/a<0.0200n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365059
PNG
(9-(4-chlorobenzyl)-6-methyl- 4-(2-((1-methyl-1H-py...)
Show SMILES CN1c2cc(cc3nnc(C(Cc4ccc(Cl)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1
Show InChI InChI=1/C25H22ClN9O/c1-33-22-13-16(19-7-9-27-25(29-19)30-20-8-10-28-34(20)2)12-21-31-32-24(35(21)22)17(14-23(33)36)11-15-3-5-18(26)6-4-15/h3-10,12-13,17H,11,14H2,1-2H3,(H,27,29,30)
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n/an/a<0.0200n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365062
PNG
(4-(3-((6-methoxypyridin-3- yl)methyl)-4,5-dihydro-...)
Show SMILES COc1ccc(CC2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cn1
Show InChI InChI=1/C23H22N10O/c1-32-18(6-8-27-32)29-23-24-7-5-17(28-23)15-10-19-25-13-16(22-31-30-20(11-15)33(19)22)9-14-3-4-21(34-2)26-12-14/h3-8,10-12,16,25H,9,13H2,1-2H3,(H,24,28,29)
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n/an/a<0.0200n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365068
PNG
(3-benzyl-5-methyl-7-(2-((1- methyl-1H-pyrazol-5- y...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2nnc3n(Cc4ccccc4)c(=O)n(C)c(c1)n23
Show InChI InChI=1S/C23H20N10O/c1-30-20-13-16(17-8-10-24-21(26-17)27-18-9-11-25-31(18)2)12-19-28-29-22(33(19)20)32(23(30)34)14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,26,27)
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n/an/a 0.0200n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365069
PNG
(4-(9-((benzyloxy)methyl)- 8,9-dihydro-7H-6-oxa- 1,...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2OCCC(COCc3ccccc3)c3nnc(c1)n23
Show InChI InChI=1/C25H24N8O2/c1-32-21(8-11-27-32)29-25-26-10-7-20(28-25)19-13-22-30-31-24-18(9-12-35-23(14-19)33(22)24)16-34-15-17-5-3-2-4-6-17/h2-8,10-11,13-14,18H,9,12,15-16H2,1H3,(H,26,28,29)
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Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM365072
PNG
(4-(9-(2-chlorobenzyl)-8,9- dihydro-7H-6-oxa-1,2,2a...)
Show SMILES Cn1nccc1Nc1cc(ccn1)-c1cc2OCCC(Cc3ccccc3Cl)c3nnc(c1)n23
Show InChI InChI=1/C25H22ClN7O/c1-32-22(7-10-28-32)29-21-13-16(6-9-27-21)19-14-23-30-31-25-18(8-11-34-24(15-19)33(23)25)12-17-4-2-3-5-20(17)26/h2-7,9-10,13-15,18H,8,11-12H2,1H3,(H,27,29)
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Genentech Inc

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9867833 (2018)

More data for this
Ligand-Target Pair
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