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Compile Data Set for Download or QSAR

Found 213 hits of kd data for polymerid = 2239,5639,943   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 |r|
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n/an/an/a 0.0300n/an/an/an/a30



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 |r|
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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


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/an/a 0.0501n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50505988
PNG
(CHEMBL4482864)
Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
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n/an/an/a 0.0501n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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n/an/an/a 0.0600n/an/an/an/a30



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


(Homo sapiens (Human))
BDBM50505988
PNG
(CHEMBL4482864)
Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
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n/an/an/a 0.100n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/an/a 0.100n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
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n/an/an/a 0.120n/an/an/an/a30



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
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n/an/an/a 0.130n/an/an/an/a30



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 |r|
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n/an/an/a 0.140n/an/an/an/a30



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 |r|
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n/an/an/a 0.150n/an/an/an/a30



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 |r|
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n/an/an/a 0.150n/an/an/an/a30



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


(Homo sapiens (Human))
BDBM50265959
PNG
(CHEMBL4071576)
Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1
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n/an/an/a 0.158n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
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 |r|
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n/an/an/a 0.25n/an/an/an/a30



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 |r|
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n/an/an/a 0.300n/an/an/an/a30



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 |r|
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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


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106 | US10525036, Example BVD-523 | US10...)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r|
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/an/a 0.316n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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


(Homo sapiens (Human))
BDBM50265959
PNG
(CHEMBL4071576)
Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
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 |r|
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US Patent
n/an/an/a 1.12n/an/an/an/a30



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 |r|
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US Patent
n/an/an/a 1.36n/an/an/an/a30



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 |r|
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US Patent
n/an/an/a 1.51n/an/an/an/a30



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 |r|
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US Patent
n/an/an/a 1.55n/an/an/an/a30



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


(Homo sapiens (Human))
BDBM120095
PNG
(US10525036, Example GDC-0994 | US10934304, Example...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
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n/an/an/a 1.60n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM120095
PNG
(US10525036, Example GDC-0994 | US10934304, Example...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
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n/an/an/a 1.60n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
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US Patent
n/an/an/a 2.10n/an/an/an/a30



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 |r|
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n/an/an/a 6n/an/an/an/a30



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


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106 | US10525036, Example BVD-523 | US10...)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r|
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/an/a 10n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50254739
PNG
(CHEMBL4079223)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(nnc23)-c2c(nn3ccccc23)-c2ccccc2)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C133H217N45O30/c1-14-74(9)105(127(204)162-92(64-71(3)4)120(197)151-76(11)111(188)153-86(48-51-98(137)182)116(193)155-83(42-32-57-147-131(140)141)114(191)156-85(44-34-59-149-133(144)145)119(196)166-104(73(7)8)125(202)157-84(43-33-58-148-132(142)143)115(192)160-90(130(207)208)41-22-27-55-135)167-123(200)95(70-180)164-122(199)94(69-179)163-118(195)88(50-53-102(186)187)158-126(203)106(75(10)15-2)168-124(201)97-46-35-61-176(97)129(206)89(40-21-26-54-134)159-121(198)93(65-72(5)6)161-117(194)87(49-52-99(138)183)154-112(189)77(12)152-128(205)107(78(13)181)165-101(185)67-150-113(190)82(136)39-24-30-60-175-68-80(169-174-175)38-23-28-56-146-100(184)47-20-17-29-63-178-110-81(109(139)173-178)66-91(170-171-110)103-96-45-25-31-62-177(96)172-108(103)79-36-18-16-19-37-79/h16,18-19,25,31,36-37,45,62,66,68,71-78,82-90,92-95,97,104-107,179-181H,14-15,17,20-24,26-30,32-35,38-44,46-61,63-65,67,69-70,134-136H2,1-13H3,(H2,137,182)(H2,138,183)(H2,139,173)(H,146,184)(H,150,190)(H,151,197)(H,152,205)(H,153,188)(H,154,189)(H,155,193)(H,156,191)(H,157,202)(H,158,203)(H,159,198)(H,160,192)(H,161,194)(H,162,204)(H,163,195)(H,164,199)(H,165,185)(H,166,196)(H,167,200)(H,168,201)(H,186,187)(H,207,208)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t74-,75-,76-,77-,78+,82?,83-,84-,85-,86-,87-,88-,89-,90-,92-,93-,94-,95-,97-,104-,105-,106-,107-/m0/s1
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n/an/an/a 16n/an/an/an/an/a



Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, California 92037, United States.

Curated by ChEMBL


Assay Description
Binding affinity to full length wild type human ERK2 (M1 to P379 residues) expressed in bacterial expression system by KINOMEscan assay


ACS Med Chem Lett 8: 726-731 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00127
BindingDB Entry DOI: 10.7270/Q2ZW1PCV
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 |c:9|
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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US Patent
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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n/an/an/a 170n/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


(Homo sapiens (Human))
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 |r|
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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n/an/an/a 233n/an/an/a7.515



George Washington University



Assay Description
For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...


Nat Chem Biol 10: 853-860 (2014)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q28G8JCH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
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 |r|
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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n/an/an/a 300n/an/an/a7.530



George Washington University



Assay Description
For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...


Nat Chem Biol 10: 853-860 (2014)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q28G8JCH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/an/a 300n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ERK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50601917
PNG
(CHEMBL5180873)
Show SMILES NC(=N)NCCC[C@H]1CNC(=N)N1CCN(CCN1C[C@H](CCCNC(N)=N)N(CCCC2CCCCC2)C1=N)CCN1C[C@H](CCCNC(N)=N)N(CCc2cccc(Br)c2)C1=N |r|
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n/an/an/a 380n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01244
BindingDB Entry DOI: 10.7270/Q2HT2TF2
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 400n/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


(Homo sapiens (Human))
BDBM50254740
PNG
(CHEMBL4104378)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C121H215N37O34/c1-18-64(13)91(153-107(180)83(57-160)150-106(179)82(56-159)149-102(175)76(40-43-89(166)167)143-112(185)92(65(14)19-2)154-110(183)86-37-29-50-157(86)116(189)77(31-21-23-45-123)144-105(178)79(53-60(5)6)145-101(174)75(39-42-88(125)165)141-96(169)69-32-24-46-132-69)113(186)146-78(52-59(3)4)104(177)136-66(15)95(168)137-74(38-41-87(124)164)100(173)139-71(33-25-47-133-119(126)127)97(170)140-73(35-27-49-135-121(130)131)103(176)152-90(63(11)12)111(184)142-72(34-26-48-134-120(128)129)98(171)138-70(30-20-22-44-122)99(172)147-80(54-61(7)8)117(190)158-51-28-36-85(158)109(182)151-84(58-161)108(181)155-94(68(17)163)115(188)156-93(67(16)162)114(187)148-81(118(191)192)55-62(9)10/h59-86,90-94,132,159-163H,18-58,122-123H2,1-17H3,(H2,124,164)(H2,125,165)(H,136,177)(H,137,168)(H,138,171)(H,139,173)(H,140,170)(H,141,169)(H,142,184)(H,143,185)(H,144,178)(H,145,174)(H,146,186)(H,147,172)(H,148,187)(H,149,175)(H,150,179)(H,151,182)(H,152,176)(H,153,180)(H,154,183)(H,155,181)(H,156,188)(H,166,167)(H,191,192)(H4,126,127,133)(H4,128,129,134)(H4,130,131,135)/t64-,65-,66-,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-,92-,93-,94-/m0/s1
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n/an/an/a 500n/an/an/an/an/a



Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, California 92037, United States.

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal FLAG-tagged human ERK2 expressed in Escherichia coli (DE3) after 30 mins by fluorescence polarization assay


ACS Med Chem Lett 8: 726-731 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00127
BindingDB Entry DOI: 10.7270/Q2ZW1PCV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50229978
PNG
(5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOL...)
Show SMILES Nc1n[nH]c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
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n/an/an/a 850n/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin) by isothermal titration calorimetry


J Med Chem 56: 2155-9 (2013)


Article DOI: 10.1021/jm301603n
BindingDB Entry DOI: 10.7270/Q2PR7X98
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50030882
PNG
(CHEMBL3356114)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)
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n/an/an/a 1.06E+3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to non-phosphorylated Erk2 (unknown origin) by TdF assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
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 1.30E+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 1.40E+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


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
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n/an/an/a 1.50E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
BindingDB Entry DOI: 10.7270/Q20003HK
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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n/an/an/a 1.50E+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


(Homo sapiens (Human))
BDBM50030882
PNG
(CHEMBL3356114)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)
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n/an/an/a 1.90E+3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to activated Erk2 (unknown origin) by TdF assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
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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n/an/an/a 2.40E+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))
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
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