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Compile Data Set for Download or QSAR

Found 800 hits Enz. Inhib. hit(s) with Target = 'MAP kinase ERK2'   
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


(Mus musculus (Mouse))
BDBM203368
PNG
(US9242981, 113)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1
Show InChI InChI=1S/C27H30FN7O2/c1-37-24-6-2-5-22(28)20(24)16-33-11-3-4-19(15-33)30-27(36)35-12-9-23-21(17-35)26(32-31-23)18-7-8-25-29-10-13-34(25)14-18/h2,5-8,10,13-14,19H,3-4,9,11-12,15-17H2,1H3,(H,30,36)(H,31,32)/t19-/m1/s1
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n/an/an/a 0.0300n/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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203365
PNG
(US9242981, 110)
Show SMILES Cc1cccc(C)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1
Show InChI InChI=1S/C28H33N7O/c1-19-5-3-6-20(2)23(19)17-33-12-4-7-22(16-33)30-28(36)35-13-10-25-24(18-35)27(32-31-25)21-8-9-26-29-11-14-34(26)15-21/h3,5-6,8-9,11,14-15,22H,4,7,10,12-13,16-18H2,1-2H3,(H,30,36)(H,31,32)/t22-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203378
PNG
(US9242981, 123)
Show SMILES COc1cccc(F)c1CN1CC(CC(C1)C(F)(F)F)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccnc(C)c1
Show InChI InChI=1S/C27H30F4N6O2/c1-16-10-17(6-8-32-16)25-21-15-37(9-7-23(21)34-35-25)26(38)33-19-11-18(27(29,30)31)12-36(13-19)14-20-22(28)4-3-5-24(20)39-2/h3-6,8,10,18-19H,7,9,11-15H2,1-2H3,(H,33,38)(H,34,35)
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n/an/an/a 0.0600n/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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203367
PNG
(US9242981, 112)
Show SMILES O=C(N[C@@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1
Show InChI InChI=1S/C30H31N7O/c38-30(32-24-8-4-14-35(19-24)17-22-7-3-6-21-5-1-2-9-25(21)22)37-15-12-27-26(20-37)29(34-33-27)23-10-11-28-31-13-16-36(28)18-23/h1-3,5-7,9-11,13,16,18,24H,4,8,12,14-15,17,19-20H2,(H,32,38)(H,33,34)/t24-/m1/s1
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n/an/an/a 0.120n/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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203349
PNG
(US9242981, 84)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)C(=O)NC1CCCN(Cc2c(C)cccc2C)C1
Show InChI InChI=1S/C27H34N6O/c1-18-6-4-7-19(2)23(18)16-32-12-5-8-22(15-32)29-27(34)33-13-10-25-24(17-33)26(31-30-25)21-9-11-28-20(3)14-21/h4,6-7,9,11,14,22H,5,8,10,12-13,15-17H2,1-3H3,(H,29,34)(H,30,31)
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n/an/an/a 0.130n/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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203364
PNG
(US9242981, 109)
Show SMILES O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1
Show InChI InChI=1S/C28H29N7OS/c36-28(30-21-4-3-11-33(16-21)14-20-18-37-25-6-2-1-5-22(20)25)35-12-9-24-23(17-35)27(32-31-24)19-7-8-26-29-10-13-34(26)15-19/h1-2,5-8,10,13,15,18,21H,3-4,9,11-12,14,16-17H2,(H,30,36)(H,31,32)/t21-/m1/s1
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n/an/an/a 0.140n/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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203321
PNG
(US9242981, 53)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C25H29FN6O2/c1-34-23-6-2-5-21(26)19(23)15-31-12-3-4-18(14-31)28-25(33)32-13-9-22-20(16-32)24(30-29-22)17-7-10-27-11-8-17/h2,5-8,10-11,18H,3-4,9,12-16H2,1H3,(H,28,33)(H,29,30)/t18-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203339
PNG
(US9242981, 71)
Show SMILES Cc1cccc(C)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C26H32N6O/c1-18-5-3-6-19(2)22(18)16-31-13-4-7-21(15-31)28-26(33)32-14-10-24-23(17-32)25(30-29-24)20-8-11-27-12-9-20/h3,5-6,8-9,11-12,21H,4,7,10,13-17H2,1-2H3,(H,28,33)(H,29,30)/t21-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203326
PNG
(US9242981, 58)
Show SMILES Cc1ccsc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C23H28N6OS/c1-16-7-12-31-21(16)15-28-10-2-3-18(13-28)25-23(30)29-11-6-20-19(14-29)22(27-26-20)17-4-8-24-9-5-17/h4-5,7-9,12,18H,2-3,6,10-11,13-15H2,1H3,(H,25,30)(H,26,27)/t18-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203325
PNG
(US9242981, 57)
Show SMILES O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C26H28N6OS/c33-26(32-13-9-23-22(16-32)25(30-29-23)18-7-10-27-11-8-18)28-20-4-3-12-31(15-20)14-19-17-34-24-6-2-1-5-21(19)24/h1-2,5-8,10-11,17,20H,3-4,9,12-16H2,(H,28,33)(H,29,30)/t20-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203337
PNG
(US9242981, 69)
Show SMILES Clc1ccccc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C24H27ClN6O/c25-21-6-2-1-4-18(21)14-30-12-3-5-19(15-30)27-24(32)31-13-9-22-20(16-31)23(29-28-22)17-7-10-26-11-8-17/h1-2,4,6-8,10-11,19H,3,5,9,12-16H2,(H,27,32)(H,28,29)/t19-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203319
PNG
(US9242981, 48)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C24H27FN6O/c25-21-6-2-1-4-18(21)14-30-12-3-5-19(15-30)27-24(32)31-13-9-22-20(16-31)23(29-28-22)17-7-10-26-11-8-17/h1-2,4,6-8,10-11,19H,3,5,9,12-16H2,(H,27,32)(H,28,29)/t19-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203355
PNG
(US9242981, 100)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)C(=O)N[C@@H]1CCCN(Cc2cccc3ccccc23)C1
Show InChI InChI=1S/C29H32N6O/c1-20-16-22(11-13-30-20)28-26-19-35(15-12-27(26)32-33-28)29(36)31-24-9-5-14-34(18-24)17-23-8-4-7-21-6-2-3-10-25(21)23/h2-4,6-8,10-11,13,16,24H,5,9,12,14-15,17-19H2,1H3,(H,31,36)(H,32,33)/t24-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203329
PNG
(US9242981, 61)
Show SMILES Cn1c(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)cc2ccccc12
Show InChI InChI=1S/C27H31N7O/c1-32-22(15-20-5-2-3-7-25(20)32)17-33-13-4-6-21(16-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,5,7-9,11-12,15,21H,4,6,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203322
PNG
(US9242981, 54)
Show SMILES Fc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C24H26F2N6O/c25-20-4-1-5-21(26)18(20)14-31-11-2-3-17(13-31)28-24(33)32-12-8-22-19(15-32)23(30-29-22)16-6-9-27-10-7-16/h1,4-7,9-10,17H,2-3,8,11-15H2,(H,28,33)(H,29,30)/t17-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203317
PNG
(US9242981, 46)
Show SMILES CN1C[C@@H](NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)[C@@H](C1)c1ccccc1C
Show InChI InChI=1S/C24H28N6O/c1-16-5-3-4-6-18(16)19-13-29(2)15-22(19)26-24(31)30-12-9-21-20(14-30)23(28-27-21)17-7-10-25-11-8-17/h3-8,10-11,19,22H,9,12-15H2,1-2H3,(H,26,31)(H,27,28)/t19-,22+/m0/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203328
PNG
(US9242981, 60)
Show SMILES Cn1cc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C27H31N7O/c1-32-15-20(22-6-2-3-7-25(22)32)16-33-13-4-5-21(17-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,6-9,11-12,15,21H,4-5,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203343
PNG
(US9242981, 75)
Show SMILES Cc1noc(c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C28H31N7O2/c1-19-23(27(37-33-19)21-6-3-2-4-7-21)17-34-14-5-8-22(16-34)30-28(36)35-15-11-25-24(18-35)26(32-31-25)20-9-12-29-13-10-20/h2-4,6-7,9-10,12-13,22H,5,8,11,14-18H2,1H3,(H,30,36)(H,31,32)/t22-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203327
PNG
(US9242981, 59)
Show SMILES Cc1ccc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)s1
Show InChI InChI=1S/C23H28N6OS/c1-16-4-5-19(31-16)14-28-11-2-3-18(13-28)25-23(30)29-12-8-21-20(15-29)22(27-26-21)17-6-9-24-10-7-17/h4-7,9-10,18H,2-3,8,11-15H2,1H3,(H,25,30)(H,26,27)/t18-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203344
PNG
(US9242981, 76)
Show SMILES Cc1onc(c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C28H31N7O2/c1-19-23(27(33-37-19)20-6-3-2-4-7-20)17-34-14-5-8-22(16-34)30-28(36)35-15-11-25-24(18-35)26(32-31-25)21-9-12-29-13-10-21/h2-4,6-7,9-10,12-13,22H,5,8,11,14-18H2,1H3,(H,30,36)(H,31,32)/t22-/m1/s1
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n/an/an/a 1.55n/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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203330
PNG
(US9242981, 62)
Show SMILES CC(=O)n1cc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C28H31N7O2/c1-19(36)35-16-21(23-6-2-3-7-26(23)35)15-33-13-4-5-22(17-33)30-28(37)34-14-10-25-24(18-34)27(32-31-25)20-8-11-29-12-9-20/h2-3,6-9,11-12,16,22H,4-5,10,13-15,17-18H2,1H3,(H,30,37)(H,31,32)/t22-/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203308
PNG
(US9242981, 37)
Show SMILES O=C(N[C@H]1CNC[C@@H]1c1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C22H24N6O/c29-22(25-20-13-24-12-17(20)15-4-2-1-3-5-15)28-11-8-19-18(14-28)21(27-26-19)16-6-9-23-10-7-16/h1-7,9-10,17,20,24H,8,11-14H2,(H,25,29)(H,26,27)/t17-,20+/m1/s1
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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 Fluoresc...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176676
PNG
(US9115122, 2.3.2)
Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1
Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2
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n/an/an/a 130n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176678
PNG
(US9115122, SF-2-054)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1
Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-
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UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176678
PNG
(US9115122, SF-2-054)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1
Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-
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UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176677
PNG
(US9115122, SF-2-062)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-
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UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176678
PNG
(US9115122, SF-2-054)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1
Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-
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n/an/an/a 1.40E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176674
PNG
(US9115122, 76.3)
Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-
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UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176675
PNG
(US9115122, 76.4)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1OC
Show InChI InChI=1S/C14H16N2O3S2/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16(6-5-15)14(20)21-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-
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UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176673
PNG
(US9115122, 76.2)
Show SMILES NCCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O
Show InChI InChI=1S/C14H14N2OS2/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2/b7-4+,12-8-
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n/an/an/a 3.30E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176677
PNG
(US9115122, SF-2-062)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-
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n/an/an/a 3.70E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176672
PNG
(US9115122, 76)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-
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n/an/an/a 5.00E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176677
PNG
(US9115122, SF-2-062)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-
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n/an/an/a 6.00E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176677
PNG
(US9115122, SF-2-062)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-
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n/an/an/a 6.80E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176679
PNG
(US9115122, SS-1-019)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(C)nc(Cl)n3)C2=O)cc1
Show InChI InChI=1S/C18H18ClN5O2S2/c1-3-26-13-6-4-12(5-7-13)10-14-15(25)24(18(27)28-14)9-8-20-17-22-11(2)21-16(19)23-17/h4-7,10H,3,8-9H2,1-2H3,(H,20,21,22,23)/b14-10-
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n/an/an/a 9.30E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM176678
PNG
(US9115122, SF-2-054)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1
Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-
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n/an/an/a 1.02E+4n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM34529
PNG
(US8546404, 479 | US8546404, 489)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C14H20N4O4S/c1-4-6-7-18-10-11(17(3)13(21)16-12(10)20)15-14(18)23-8-9(19)22-5-2/h4-8H2,1-3H3,(H,16,20,21)
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n/an/a 9.10n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM34531
PNG
(US8546404, 459)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103289
PNG
(US8546404, 336)
Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1
Show InChI InChI=1S/C39H40N8O3/c1-50-25-39(38(49)43-31-9-10-33-32(22-31)36(45-44-33)30-11-17-40-34(21-30)28-5-6-28)14-20-46(24-39)23-35(48)47-18-12-27(13-19-47)26-3-7-29(8-4-26)37-41-15-2-16-42-37/h2-4,7-12,15-17,21-22,28H,5-6,13-14,18-20,23-25H2,1H3,(H,43,49)(H,44,45)/t39-/m1/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103292
PNG
(US8546404, 1729 | US8546404, 469)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1
Show InChI InChI=1S/C38H38N8O3/c1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36/h2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44)/t38-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103293
PNG
(US8546404, 480)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C36H34FN7O3/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM34529
PNG
(US8546404, 479 | US8546404, 489)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C14H20N4O4S/c1-4-6-7-18-10-11(17(3)13(21)16-12(10)20)15-14(18)23-8-9(19)22-5-2/h4-8H2,1-3H3,(H,16,20,21)
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103300
PNG
(US8546404, 571)
Show SMILES C[C@@H]1CN(CCN1C(=O)CN1CCC(C1)(C#C)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccc(cn1)-c1ncccn1
Show InChI InChI=1S/C36H34FN9O2/c1-3-36(35(48)41-28-10-11-30-29(19-28)33(43-42-30)25-5-8-27(37)9-6-25)13-16-44(23-36)22-32(47)46-18-17-45(21-24(46)2)31-12-7-26(20-40-31)34-38-14-4-15-39-34/h1,4-12,14-15,19-20,24H,13,16-18,21-23H2,2H3,(H,41,48)(H,42,43)/t24-,36?/m1/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103291
PNG
(US8546404, 413)
Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C37H35F3N8O3/c1-51-23-36(35(50)44-28-7-8-30-29(20-28)33(46-45-30)27-9-15-41-31(19-27)37(38,39)40)12-18-47(22-36)21-32(49)48-16-10-25(11-17-48)24-3-5-26(6-4-24)34-42-13-2-14-43-34/h2-10,13-15,19-20H,11-12,16-18,21-23H2,1H3,(H,44,50)(H,45,46)/t36-/m1/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103290
PNG
(US8546404, 412)
Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C37H36FN7O3/c1-48-24-37(36(47)41-30-11-12-32-31(21-30)34(43-42-32)27-7-9-29(38)10-8-27)15-20-44(23-37)22-33(46)45-18-13-26(14-19-45)25-3-5-28(6-4-25)35-39-16-2-17-40-35/h2-13,16-17,21H,14-15,18-20,22-24H2,1H3,(H,41,47)(H,42,43)/t37-/m1/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103295
PNG
(US8546404, 462)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C35H35FN8O3/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103294
PNG
(US8546404, 487)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1S/C36H36N8O3/c1-24-20-28(10-16-37-24)33-30-21-29(8-9-31(30)41-42-33)40-35(46)36(47-2)13-19-43(23-36)22-32(45)44-17-11-26(12-18-44)25-4-6-27(7-5-25)34-38-14-3-15-39-34/h3-11,14-16,20-21H,12-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42)/t36-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103302
PNG
(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103296
PNG
(US8546404, 622)
Show SMILES CCNc1nnc(o1)-c1ccc(C2=CCN(CC2)C(=O)CN2CC[C@@](C2)(OC)C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c(F)c1
Show InChI InChI=1S/C36H36F2N8O4/c1-3-39-35-44-43-33(50-35)24-6-10-27(29(38)18-24)22-12-15-46(16-13-22)31(47)20-45-17-14-36(21-45,49-2)34(48)40-26-9-11-30-28(19-26)32(42-41-30)23-4-7-25(37)8-5-23/h4-12,18-19H,3,13-17,20-21H2,1-2H3,(H,39,44)(H,40,48)(H,41,42)/t36-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103297
PNG
(US8546404, 613)
Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C36H34FN7O2S/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
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