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Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with Target = 'Extracellular signal-regulated kinase 1 (ERK1)' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154585
PNG
(US8999957, Column 141, Compound 1 | US8999957, Tab...)
Show SMILES Fc1cccc(c1)C1CCNCC1NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C24H22FN5O/c25-18-3-1-2-16(12-18)19-8-11-27-14-22(19)28-24(31)17-4-5-21-20(13-17)23(30-29-21)15-6-9-26-10-7-15/h1-7,9-10,12-13,19,22,27H,8,11,14H2,(H,28,31)(H,29,30)
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n/an/an/a 106n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154586
PNG
(US8999957, Column 141, Compound 2)
Show SMILES O=C(NC1CCCCNC1=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C19H19N5O2/c25-18(22-16-3-1-2-8-21-19(16)26)13-4-5-15-14(11-13)17(24-23-15)12-6-9-20-10-7-12/h4-7,9-11,16H,1-3,8H2,(H,21,26)(H,22,25)(H,23,24)
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n/an/an/a 73n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154587
PNG
(US8999957, Column 141, Compound 3)
Show SMILES O=C(OCc1ccccc1)N1CCNC(=O)C(C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C26H24N6O4/c33-24(19-6-7-21-20(14-19)23(31-30-21)18-8-10-27-11-9-18)29-22-15-32(13-12-28-25(22)34)26(35)36-16-17-4-2-1-3-5-17/h1-11,14,22H,12-13,15-16H2,(H,28,34)(H,29,33)(H,30,31)
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n/an/an/a 290n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154588
PNG
(US8999957, Column 141, Compound 4 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1
Show InChI InChI=1/C25H23ClFN5O/c26-23-13-16(9-10-28-23)24-20-12-17(7-8-22(20)30-31-24)25(33)29-19-5-3-11-32(15-19)14-18-4-1-2-6-21(18)27/h1-2,4,6-10,12-13,19H,3,5,11,14-15H2,(H,29,33)(H,30,31)/t19-/s2
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n/an/an/a 0.580n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154589
PNG
(US8999957, Column 141, Compound 5 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C29H31FN4O2/c1-19(2)36-24-12-9-20(10-13-24)28-25-16-21(11-14-27(25)32-33-28)29(35)31-23-7-5-15-34(18-23)17-22-6-3-4-8-26(22)30/h3-4,6,8-14,16,19,23H,5,7,15,17-18H2,1-2H3,(H,31,35)(H,32,33)/t23-/s2
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n/an/an/a 1.20n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154590
PNG
(US8999957, Column 141, Compound 6 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)/t22-/s2
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n/an/an/a 2n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154591
PNG
(US8999957, Column 141, Compound 7 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C28H27FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1-2,4,6-10,14-15,22H,3,5,11-13,16-17H2,(H,30,34)(H,31,32)/t22-/s2
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n/an/an/a 0.610n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154595
PNG
(US8999957, Column 148, Compound 1)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CNCC(C1)c1ccccc1
Show InChI InChI=1/C24H23N5O/c30-24(19-12-18(14-26-15-19)16-4-2-1-3-5-16)27-20-6-7-22-21(13-20)23(29-28-22)17-8-10-25-11-9-17/h1-11,13,18-19,26H,12,14-15H2,(H,27,30)(H,28,29)
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n/an/an/a 8n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154596
PNG
(US8999957, Column 152, Compound 1)
Show SMILES O=C(NC1CNCC(C1)c1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C24H23N5O/c30-24(27-20-12-19(14-26-15-20)16-4-2-1-3-5-16)18-6-7-22-21(13-18)23(29-28-22)17-8-10-25-11-9-17/h1-11,13,19-20,26H,12,14-15H2,(H,27,30)(H,28,29)
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n/an/an/a 0.800n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154597
PNG
(US8999957, Column 152, Compound 2 | US8999957, Tab...)
Show SMILES O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/s2
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n/an/an/a 118n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154598
PNG
(US8999957, Column 153, Compound 3 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/s2
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n/an/an/a 38n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154599
PNG
(US8999957, Column 153, Compound 4 | US8999957, Tab...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/s2
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n/an/an/a 0.300n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/s2
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n/an/an/a 0.600n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154601
PNG
(US8999957, Column 155, Compound 1 | US8999957, Tab...)
Show SMILES CN1CC(CC(C1)c1ccccc1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H25N5O/c1-30-15-20(17-5-3-2-4-6-17)13-21(16-30)27-25(31)19-7-8-23-22(14-19)24(29-28-23)18-9-11-26-12-10-18/h2-12,14,20-21H,13,15-16H2,1H3,(H,27,31)(H,28,29)
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n/an/an/a 1.40n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154602
PNG
(US8999957, Column 162-163, Compound 1 | US8999957,...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C27H27N5O2/c33-27(29-22-5-3-12-32(17-22)16-21-4-1-2-11-28-21)20-6-8-24-23(15-20)26(31-30-24)19-7-9-25-18(14-19)10-13-34-25/h1-2,4,6-9,11,14-15,22H,3,5,10,12-13,16-17H2,(H,29,33)(H,30,31)/t22-/s2
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n/an/an/a 9.20n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154604
PNG
(US8999957, Column 162-163, Compound 3)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccc(cc2)C#N)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C29H27N5O2/c30-16-19-3-5-20(6-4-19)17-34-12-1-2-24(18-34)31-29(35)23-7-9-26-25(15-23)28(33-32-26)22-8-10-27-21(14-22)11-13-36-27/h3-10,14-15,24H,1-2,11-13,17-18H2,(H,31,35)(H,32,33)/t24-/s2
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n/an/an/a 82n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154605
PNG
(US8999957, Column 162-163, Compound 4 | US8999957,...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccncc2)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C27H27N5O2/c33-27(29-22-2-1-12-32(17-22)16-18-7-10-28-11-8-18)21-3-5-24-23(15-21)26(31-30-24)20-4-6-25-19(14-20)9-13-34-25/h3-8,10-11,14-15,22H,1-2,9,12-13,16-17H2,(H,29,33)(H,30,31)/t22-/s2
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n/an/an/a 76n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154607
PNG
(US8999957, Column 162-163, Compound 6)
Show SMILES O=C(N[C@@H]1CCCN(Cc2nccs2)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C25H25N5O2S/c31-25(27-19-2-1-9-30(14-19)15-23-26-8-11-33-23)18-3-5-21-20(13-18)24(29-28-21)17-4-6-22-16(12-17)7-10-32-22/h3-6,8,11-13,19H,1-2,7,9-10,14-15H2,(H,27,31)(H,28,29)/t19-/s2
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n/an/an/a 10.5n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154608
PNG
(US8999957, Column 162-163, Compound 7)
Show SMILES CN(C)c1ccc(CN2CCC[C@H](C2)NC(=O)c2ccc3[nH]nc(-c4ccc5OCCc5c4)c3c2)cc1
Show InChI InChI=1/C30H33N5O2/c1-34(2)25-9-5-20(6-10-25)18-35-14-3-4-24(19-35)31-30(36)23-7-11-27-26(17-23)29(33-32-27)22-8-12-28-21(16-22)13-15-37-28/h5-12,16-17,24H,3-4,13-15,18-19H2,1-2H3,(H,31,36)(H,32,33)/t24-/s2
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n/an/an/a 1.00E+3n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154585
PNG
(US8999957, Column 141, Compound 1 | US8999957, Tab...)
Show SMILES Fc1cccc(c1)C1CCNCC1NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C24H22FN5O/c25-18-3-1-2-16(12-18)19-8-11-27-14-22(19)28-24(31)17-4-5-21-20(13-17)23(30-29-21)15-6-9-26-10-7-15/h1-7,9-10,12-13,19,22,27H,8,11,14H2,(H,28,31)(H,29,30)
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n/an/an/a 106n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154634
PNG
(US8999957, Table 1, Compound 2)
Show SMILES Fc1ccccc1CN1CCCC(C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)
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n/an/an/a 0.300n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154635
PNG
(US8999957, Table 1, Compound 3)
Show SMILES O=C(NC1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)
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n/an/an/a 0.600n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154597
PNG
(US8999957, Column 152, Compound 2 | US8999957, Tab...)
Show SMILES O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/s2
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n/an/an/a 118n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154598
PNG
(US8999957, Column 153, Compound 3 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/s2
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n/an/an/a 38n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154599
PNG
(US8999957, Column 153, Compound 4 | US8999957, Tab...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/s2
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n/an/an/a 0.300n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/s2
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n/an/an/a 0.600n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154640
PNG
(US8999957, Table 1, Compound 8)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)C(=O)NC1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)
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n/an/an/a 2.90n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154641
PNG
(US8999957, Table 1, Compound 9)
Show SMILES O=C(NC1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C28H28N4O2/c33-28(29-23-7-4-13-32(18-23)17-19-5-2-1-3-6-19)22-8-10-25-24(16-22)27(31-30-25)21-9-11-26-20(15-21)12-14-34-26/h1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,29,33)(H,30,31)
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n/an/an/a 1.40n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154642
PNG
(US8999957, Table 1, Compound 10)
Show SMILES Fc1ccccc1CN1CCCC(C1)NC(=O)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C28H27FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1-2,4,6-10,14-15,22H,3,5,11-13,16-17H2,(H,30,34)(H,31,32)
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n/an/an/a 2.60n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154643
PNG
(US8999957, Table 1, Compound 11)
Show SMILES CC(N1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccccc1
Show InChI InChI=1/C26H27N5O/c1-18(19-6-3-2-4-7-19)31-15-5-8-22(17-31)28-26(32)21-9-10-24-23(16-21)25(30-29-24)20-11-13-27-14-12-20/h2-4,6-7,9-14,16,18,22H,5,8,15,17H2,1H3,(H,28,32)(H,29,30)/t18?,22-/s2
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n/an/an/a 804n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154588
PNG
(US8999957, Column 141, Compound 4 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1
Show InChI InChI=1/C25H23ClFN5O/c26-23-13-16(9-10-28-23)24-20-12-17(7-8-22(20)30-31-24)25(33)29-19-5-3-11-32(15-19)14-18-4-1-2-6-21(18)27/h1-2,4,6-10,12-13,19H,3,5,11,14-15H2,(H,29,33)(H,30,31)/t19-/s2
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n/an/an/a 0.580n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154589
PNG
(US8999957, Column 141, Compound 5 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C29H31FN4O2/c1-19(2)36-24-12-9-20(10-13-24)28-25-16-21(11-14-27(25)32-33-28)29(35)31-23-7-5-15-34(18-23)17-22-6-3-4-8-26(22)30/h3-4,6,8-14,16,19,23H,5,7,15,17-18H2,1-2H3,(H,31,35)(H,32,33)/t23-/s2
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n/an/an/a 1.20n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154590
PNG
(US8999957, Column 141, Compound 6 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)/t22-/s2
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n/an/an/a 2n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154591
PNG
(US8999957, Column 141, Compound 7 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C28H27FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1-2,4,6-10,14-15,22H,3,5,11-13,16-17H2,(H,30,34)(H,31,32)/t22-/s2
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n/an/an/a 0.610n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154602
PNG
(US8999957, Column 162-163, Compound 1 | US8999957,...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C27H27N5O2/c33-27(29-22-5-3-12-32(17-22)16-21-4-1-2-11-28-21)20-6-8-24-23(15-20)26(31-30-24)19-7-9-25-18(14-19)10-13-34-25/h1-2,4,6-9,11,14-15,22H,3,5,10,12-13,16-17H2,(H,29,33)(H,30,31)/t22-/s2
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n/an/an/a 9.20n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154605
PNG
(US8999957, Column 162-163, Compound 4 | US8999957,...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccncc2)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C27H27N5O2/c33-27(29-22-2-1-12-32(17-22)16-18-7-10-28-11-8-18)21-3-5-24-23(15-21)26(31-30-24)20-4-6-25-19(14-20)9-13-34-25/h3-8,10-11,14-15,22H,1-2,9,12-13,16-17H2,(H,29,33)(H,30,31)/t22-/s2
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n/an/an/a 76n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154601
PNG
(US8999957, Column 155, Compound 1 | US8999957, Tab...)
Show SMILES CN1CC(CC(C1)c1ccccc1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H25N5O/c1-30-15-20(17-5-3-2-4-6-17)13-21(16-30)27-25(31)19-7-8-23-22(14-19)24(29-28-23)18-9-11-26-12-10-18/h2-12,14,20-21H,13,15-16H2,1H3,(H,27,31)(H,28,29)
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n/an/an/a 1.40n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154664
PNG
(US8999957, Table 2, Compound 1)
Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C26H26FN5O2/c1-34-24-14-17(10-11-28-24)25-21-13-18(8-9-23(21)30-31-25)26(33)29-20-6-4-12-32(16-20)15-19-5-2-3-7-22(19)27/h2-3,5,7-11,13-14,20H,4,6,12,15-16H2,1H3,(H,29,33)(H,30,31)/t20-/s2
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n/an/an/a 0.810n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154665
PNG
(US8999957, Table 2, Compound 2)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1
Show InChI InChI=1/C28H28FN5O/c29-24-6-2-1-4-21(24)16-34-13-3-5-22(17-34)31-28(35)20-9-10-25-23(14-20)27(33-32-25)19-11-12-30-26(15-19)18-7-8-18/h1-2,4,6,9-12,14-15,18,22H,3,5,7-8,13,16-17H2,(H,31,35)(H,32,33)/t22-/s2
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n/an/an/a 0.400n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154666
PNG
(US8999957, Table 2, Compound 3)
Show SMILES CCc1cc(ccn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C27H28FN5O/c1-2-21-14-18(11-12-29-21)26-23-15-19(9-10-25(23)31-32-26)27(34)30-22-7-5-13-33(17-22)16-20-6-3-4-8-24(20)28/h3-4,6,8-12,14-15,22H,2,5,7,13,16-17H2,1H3,(H,30,34)(H,31,32)/t22-/s2
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n/an/an/a 0.400n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154667
PNG
(US8999957, Table 2, Compound 4)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C26H26FN5O/c1-17-13-18(10-11-28-17)25-22-14-19(8-9-24(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-2-3-7-23(20)27/h2-3,5,7-11,13-14,21H,4,6,12,15-16H2,1H3,(H,29,33)(H,30,31)/t21-/s2
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n/an/an/a 0.5n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154668
PNG
(US8999957, Table 2, Compound 5)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(c3)C(F)(F)F)c2c1
Show InChI InChI=1/C26H23F4N5O/c27-21-6-2-1-4-18(21)14-35-11-3-5-19(15-35)32-25(36)17-7-8-22-20(12-17)24(34-33-22)16-9-10-31-23(13-16)26(28,29)30/h1-2,4,6-10,12-13,19H,3,5,11,14-15H2,(H,32,36)(H,33,34)/t19-/s2
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n/an/an/a 6.60n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154669
PNG
(US8999957, Table 2, Compound 6)
Show SMILES COc1cccc(F)c1CN1CCCC(C1)NC(=O)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1/C29H29FN4O3/c1-36-27-6-2-5-24(30)23(27)17-34-12-3-4-21(16-34)31-29(35)20-7-9-25-22(15-20)28(33-32-25)19-8-10-26-18(14-19)11-13-37-26/h2,5-10,14-15,21H,3-4,11-13,16-17H2,1H3,(H,31,35)(H,32,33)
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n/an/an/a 0.520n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154670
PNG
(US8999957, Table 2, Compound 7)
Show SMILES CC1CC(CN(Cc2ccccc2F)C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C26H26FN5O/c1-17-12-21(16-32(14-17)15-20-4-2-3-5-23(20)27)29-26(33)19-6-7-24-22(13-19)25(31-30-24)18-8-10-28-11-9-18/h2-11,13,17,21H,12,14-16H2,1H3,(H,29,33)(H,30,31)
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n/an/an/a 0.0520n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154671
PNG
(US8999957, Table 2, Compound 8)
Show SMILES Cn1cc(CN2CCC[C@H](C2)NC(=O)c2ccc3[nH]nc(-c4ccc5OCCc5c4)c3c2)c2ccccc12
Show InChI InChI=1/C31H31N5O2/c1-35-17-23(25-6-2-3-7-28(25)35)18-36-13-4-5-24(19-36)32-31(37)22-8-10-27-26(16-22)30(34-33-27)21-9-11-29-20(15-21)12-14-38-29/h2-3,6-11,15-17,24H,4-5,12-14,18-19H2,1H3,(H,32,37)(H,33,34)/t24-/s2
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n/an/an/a 11n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154672
PNG
(US8999957, Table 2, Compound 9)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2O)C1
Show InChI InChI=1/C26H27N5O2/c1-17-13-18(10-11-27-17)25-22-14-19(8-9-23(22)29-30-25)26(33)28-21-6-4-12-31(16-21)15-20-5-2-3-7-24(20)32/h2-3,5,7-11,13-14,21,32H,4,6,12,15-16H2,1H3,(H,28,33)(H,29,30)/t21-/s2
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n/an/an/a 2.36n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154673
PNG
(US8999957, Table 2, Compound 10)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1/C27H28FN5O2/c1-17-13-18(10-11-29-17)26-21-14-19(8-9-24(21)31-32-26)27(34)30-20-5-4-12-33(15-20)16-22-23(28)6-3-7-25(22)35-2/h3,6-11,13-14,20H,4-5,12,15-16H2,1-2H3,(H,30,34)(H,31,32)/t20-/s2
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n/an/an/a 0.220n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154674
PNG
(US8999957, Table 2, Compound 11)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1
Show InChI InChI=1/C26H25F2N5O/c1-16-12-17(9-10-29-16)25-20-13-18(7-8-24(20)31-32-25)26(34)30-19-4-3-11-33(14-19)15-21-22(27)5-2-6-23(21)28/h2,5-10,12-13,19H,3-4,11,14-15H2,1H3,(H,30,34)(H,31,32)/t19-/s2
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n/an/an/a 0.510n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154675
PNG
(US8999957, Table 2, Compound 12)
Show SMILES CC(=O)Nc1cc(ccc1O)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1/C28H28FN5O3/c1-17(35)30-25-14-18(9-11-26(25)36)27-22-13-19(8-10-24(22)32-33-27)28(37)31-21-6-4-12-34(16-21)15-20-5-2-3-7-23(20)29/h2-3,5,7-11,13-14,21,36H,4,6,12,15-16H2,1H3,(H,30,35)(H,31,37)(H,32,33)/t21-/s2
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n/an/an/a 0.480n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 1 (ERK1)


(Mus musculus (Mouse))
BDBM154676
PNG
(US8999957, Table 2, Compound 13)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc(O)c(NC(C)=O)c3)c2c1
Show InChI InChI=1/C29H30FN5O4/c1-17(36)31-25-14-18(9-11-26(25)37)28-21-13-19(8-10-24(21)33-34-28)29(38)32-20-5-4-12-35(15-20)16-22-23(30)6-3-7-27(22)39-2/h3,6-11,13-14,20,37H,4-5,12,15-16H2,1-2H3,(H,31,36)(H,32,38)(H,33,34)/t20-/s2
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n/an/an/a 0.660n/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
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