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Compile Data Set for Download or QSAR

Found 14247 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1'   
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))
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=1S/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-/m1/s1
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n/an/a 0.00431n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00500n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m0/s1
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n/an/a 0.00550n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00665n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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/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 US9242996 (2016)


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


(Homo sapiens (human))
BDBM50180838
PNG
(CHEMBL3818606)
Show SMILES NCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H13F3IN3O2/c16-10-3-2-9(15(23)22-24-6-5-20)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21H,5-6,20H2,(H,22,23)
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n/an/a 0.00715n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01655
BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00827n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00837n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00875n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00900n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00970n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.00977n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50115402
PNG
(CHEMBL3608588)
Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cccc(Cl)c1
Show InChI InChI=1S/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-/m1/s1
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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)
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0100n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204308
PNG
(US9242996, 387)
Show SMILES CSc1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1
Show InChI InChI=1S/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-/m1/s1
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n/an/a 0.0100n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0103n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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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n/an/a 0.0104n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0107n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0110n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0121n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0127n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/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
MAP kinase ERK2


(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
MAP kinase ERK2


(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=1S/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-/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
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0143n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50180834
PNG
(CHEMBL3819302)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1
Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57)
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Article
PubMed
n/an/a 0.0150n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01655
BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/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
MAP kinase ERK2


(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=1S/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-/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
MAP kinase ERK2


(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=1S/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-/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
MAP kinase ERK2


(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=1S/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-/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
MAP kinase ERK2


(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=1S/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-/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
MAP kinase ERK2


(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
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0183n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0187n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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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n/an/a 0.0187n/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 US9242996 (2016)


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


(Homo sapiens (human))
BDBM50180836
PNG
(CHEMBL3818677)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCCCCNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
Show InChI InChI=1S/C40H43F5IN11O4/c41-27-11-10-26(34(33(27)43)48-29-12-9-25(46)24-28(29)42)37(59)53-61-21-14-47-13-5-1-2-8-32(58)54-15-17-55(18-16-54)38-50-39(56-19-22-60-23-20-56)52-40(51-38)57-31-7-4-3-6-30(31)49-36(57)35(44)45/h3-4,6-7,9-12,24,35,47-48H,1-2,5,8,13-23H2,(H,53,59)
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n/an/a 0.0190n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01655
BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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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
MAP kinase ERK2


(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=1S/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-/m0/s1
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n/an/a 0.0194n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0197n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0198n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(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=1S/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-/m1/s1
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n/an/a 0.0199n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204335
PNG
(US9242996, 414)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cccc(Br)c1
Show InChI InChI=1S/C24H25BrFN5O2/c25-17-3-1-2-15(10-17)20(12-27)31-24(32)18-5-4-16(11-19(18)26)22-23(28)29-13-21(30-22)14-6-8-33-9-7-14/h1-5,10-11,13-14,20H,6-9,12,27H2,(H2,28,29)(H,31,32)/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204329
PNG
(US9242996, 408)
Show SMILES CC(=O)NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Br)c1
Show InChI InChI=1S/C26H26BrF2N5O3/c1-14(35)31-12-23(17-8-18(27)11-19(28)9-17)34-26(36)20-3-2-16(10-21(20)29)24-25(30)32-13-22(33-24)15-4-6-37-7-5-15/h2-3,8-11,13,15,23H,4-7,12H2,1H3,(H2,30,32)(H,31,35)(H,34,36)/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
MAP kinase ERK2


(Homo sapiens (human))
BDBM204295
PNG
(US9242996, 374)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@@H](CC1)OC)c1cc(F)cc(Br)c1
Show InChI InChI=1S/C27H30BrF2N5O2/c1-32-13-23(17-9-18(28)12-19(29)10-17)35-27(36)21-8-5-16(11-22(21)30)25-26(31)33-14-24(34-25)15-3-6-20(37-2)7-4-15/h5,8-12,14-15,20,23,32H,3-4,6-7,13H2,1-2H3,(H2,31,33)(H,35,36)/t15-,20-,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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204279
PNG
(US9242996, 358)
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=1S/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-/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
MAP kinase ERK2


(Homo sapiens (human))
BDBM204261
PNG
(US9242996, 335)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(c2)C(F)F)c(F)c1)C1CCOCC1
Show InChI InChI=1S/C25H24F4N4O3/c26-17-8-15(7-16(9-17)23(28)29)21(12-34)33-25(35)18-2-1-14(10-19(18)27)22-24(30)31-11-20(32-22)13-3-5-36-6-4-13/h1-2,7-11,13,21,23,34H,3-6,12H2,(H2,30,31)(H,33,35)/t21-/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
MAP kinase ERK2


(Homo sapiens (human))
BDBM204286
PNG
(US9242996, 365)
Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Br)c1
Show InChI InChI=1S/C25H26BrF2N5O2/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-/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
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