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Compile Data Set for Download or QSAR

Found 735 hits of ic50 for UniProtKB: P27361   
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 1/3


(Homo sapiens (Human))		BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 0.0100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation in LoVo cells

Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(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/a 1.20n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

Bioorg Med Chem Lett 25: 4047-56 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.093
BindingDB Entry DOI: 10.7270/Q2VX0JBS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50531622
PNG
(CHEMBL4434915)
Show SMILES OCC(N1Cc2ccc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN4O3/c26-19-3-1-2-17(12-19)23(15-31)30-14-18-5-4-16(13-21(18)24(30)32)22-6-9-27-25(29-22)28-20-7-10-33-11-8-20/h1-6,9,12-13,20,23,31H,7-8,10-11,14-15H2,(H,27,28,29)
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n/an/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using lipid as substrate after 40 mins by ADP-Glo luminescence assay

Eur J Med Chem 164: 334-341 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.040
BindingDB Entry DOI: 10.7270/Q2ZS310S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1/3


(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/a 1.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs

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 3


(Homo sapiens (Human))		BDBM50601920
PNG
(ASN007 | Asn007 | Asn007 rd)
Show SMILES Cc1cnc(NC2CCOCC2)nc1-n1cnc(c1)C(=O)N[C@H](CN)c1cc(F)cc(Cl)c1 |r|
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n/an/a 2n/an/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 1/3


(Homo sapiens (Human))		BDBM50456348
PNG
(CHEMBL4212211 | US11001575, Example 683)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1cccc(C)c1 |r|
Show InChI InChI=1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 phosphorylation in human A375 cells harboring BRAF V600E mutant after 4 hrs by ELISA

J Med Chem 61: 4978-4992 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00421
BindingDB Entry DOI: 10.7270/Q2HT2RZZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 1/3


(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/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs

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 3


(Homo sapiens (Human))		BDBM120086
PNG
(US8697715, 1 | US9259470, 1)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r|
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM120086
PNG
(US8697715, 1 | US9259470, 1)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r|
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50586289
PNG
(CHEMBL5070887)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERK1 (unknown origin) measured after 2 hr by ADP-glo assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00029
BindingDB Entry DOI: 10.7270/Q2C82F6M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50531640
PNG
(CHEMBL4588783)
Show SMILES Clc1cccc(CN2Cc3ccc(cc3C2=O)-c2ccnc(NC3CCOCC3)n2)c1
Show InChI InChI=1S/C24H23ClN4O2/c25-19-3-1-2-16(12-19)14-29-15-18-5-4-17(13-21(18)23(29)30)22-6-9-26-24(28-22)27-20-7-10-31-11-8-20/h1-6,9,12-13,20H,7-8,10-11,14-15H2,(H,26,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using lipid as substrate after 40 mins by ADP-Glo luminescence assay

Eur J Med Chem 164: 334-341 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.040
BindingDB Entry DOI: 10.7270/Q2ZS310S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1/3


(Homo sapiens (Human))		BDBM50505994
PNG
(CHEMBL4440109)
Show SMILES C[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C23H22F2N8O/c1-13-9-26-23(29-19-6-7-27-31(19)3)30-20(13)18-12-32-10-14(2)33(22(34)21(32)28-18)11-15-4-5-16(24)17(25)8-15/h4-9,12,14H,10-11H2,1-3H3,(H,26,29,30)/t14-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs

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 1/3


(Homo sapiens (Human))		BDBM50456348
PNG
(CHEMBL4212211 | US11001575, Example 683)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1cccc(C)c1 |r|
Show InChI InChI=1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells harboring BRAF V600E mutant assessed as suppression of RSK phosphorylation after 4 hrs by MSD assay

J Med Chem 61: 4978-4992 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00421
BindingDB Entry DOI: 10.7270/Q2HT2RZZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50531627
PNG
(CHEMBL4567212)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccc2CN(C(CO)c3cccc(Cl)c3)C(=O)c2c1
Show InChI InChI=1S/C24H21ClN6O2/c1-30-22(8-10-27-30)29-24-26-9-7-20(28-24)15-5-6-17-13-31(23(33)19(17)12-15)21(14-32)16-3-2-4-18(25)11-16/h2-12,21,32H,13-14H2,1H3,(H,26,28,29)
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n/an/a 3.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using lipid as substrate after 40 mins by ADP-Glo luminescence assay

Eur J Med Chem 164: 334-341 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.040
BindingDB Entry DOI: 10.7270/Q2ZS310S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532351
PNG
(CHEMBL4565958)
Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532351
PNG
(CHEMBL4565958)
Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532350
PNG
(CHEMBL4571067)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1 |r|
Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532350
PNG
(CHEMBL4571067)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1 |r|
Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1
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Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(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/a 4n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) after 45 mins by IMAP assay

Bioorg Med Chem Lett 25: 4047-56 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.093
BindingDB Entry DOI: 10.7270/Q2VX0JBS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(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/a 4n/an/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		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50531628
PNG
(CHEMBL4532652)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3CN(C(CO)c4cccc(Cl)c4)C(=O)c3c2)cn1
Show InChI InChI=1S/C24H21ClN6O2/c1-30-13-19(11-27-30)28-24-26-8-7-21(29-24)15-5-6-17-12-31(23(33)20(17)10-15)22(14-32)16-3-2-4-18(25)9-16/h2-11,13,22,32H,12,14H2,1H3,(H,26,28,29)
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n/an/a 4.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using lipid as substrate after 40 mins by ADP-Glo luminescence assay

Eur J Med Chem 164: 334-341 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.040
BindingDB Entry DOI: 10.7270/Q2ZS310S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1/3


(Homo sapiens (Human))		BDBM50505992
PNG
(CHEMBL4452853)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cn2CCN(Cc3cccc(Cl)c3)C(=O)c2n1
Show InChI InChI=1S/C22H21ClN8O/c1-14-11-24-22(27-18-6-7-25-29(18)2)28-19(14)17-13-30-8-9-31(21(32)20(30)26-17)12-15-4-3-5-16(23)10-15/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,24,27,28)
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n/an/a 4.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs

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 3


(Homo sapiens (Human))		BDBM50532362
PNG
(CHEMBL4436718)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r|
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532362
PNG
(CHEMBL4436718)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r|
Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50601918
PNG
(LY-3214996 | LY3214996 | Ly 3214996 | Ly3214996 | ...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2C(=O)N(CCN3CCOCC3)C(C)(C)c2s1
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n/an/a 5n/an/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		3D
3D Structure (crystal)
Mitogen-activated protein kinase 1/3


(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/a 5.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of RSK phosphorylation after 2 hrs

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 3


(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/a 6.10n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(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/a 6.10n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM570913
PNG
(US11440904, Compound 11)
Show SMILES C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12
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US Patent
n/an/a 6.23n/an/an/an/an/an/a


TBA

Assay Description
The inhibiting activities of each of Compound-1 to Compound-24 against BTK wt, BTK(C481S), BMX, FAK, ITK, and EGFR wt kinases were determined using 3...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FB565Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50458811
PNG
(CHEMBL4209570)
Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)[C@@]3(CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncn(C)n4)C3)SC)cc12 |r,c:29|
Show InChI InChI=1S/C35H37N9O3S/c1-42-22-37-33(41-42)25-6-4-23(5-7-25)24-11-15-44(16-12-24)31(45)20-43-17-13-35(21-43,48-3)34(46)38-27-8-9-29-28(19-27)32(40-39-29)26-10-14-36-30(18-26)47-2/h4-11,14,18-19,22H,12-13,15-17,20-21H2,1-3H3,(H,38,46)(H,39,40)/t35-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay

ACS Med Chem Lett 9: 761-767 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532361
PNG
(CHEMBL4435650)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r|
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532361
PNG
(CHEMBL4435650)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r|
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(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/a 8n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay

ACS Med Chem Lett 9: 761-767 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(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/a 8.30n/an/an/an/an/an/a



George Washington University



Assay Description
The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.

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 1/3


(Homo sapiens (Human))		BDBM50505990
PNG
(CHEMBL4458562)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cn2CCN(Cc3ccc(F)c(F)c3)C(=O)c2n1
Show InChI InChI=1S/C22H20F2N8O/c1-13-10-25-22(28-18-5-6-26-30(18)2)29-19(13)17-12-31-7-8-32(21(33)20(31)27-17)11-14-3-4-15(23)16(24)9-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,28,29)
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n/an/a 9.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs

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 1/3


(Homo sapiens (Human))		BDBM50505991
PNG
(CHEMBL4470113)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2C(=O)N(Cc3cccc(Cl)c3)CCn2c1
Show InChI InChI=1S/C23H22ClN7O/c1-15-12-25-23(27-20-6-7-26-29(20)2)28-21(15)17-11-19-22(32)31(9-8-30(19)14-17)13-16-4-3-5-18(24)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,27,28)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of RSK phosphorylation after 2 hrs

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 3


(Homo sapiens (Human))		BDBM318045
PNG
(US10301317, Example 1 | US9624228, Example 1)
Show SMILES O=C1Nc2cc3[nH]nc(-c4ccncc4)c3cc2CN1Cc1ccccc1
Show InChI InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)
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n/an/a 10n/an/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 3


(Homo sapiens (Human))		BDBM351000
PNG
(US9796700, Compound I-90)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1
Show InChI InChI=1S/C22H21F3N6O2/c1-5-18(32)28-17-8-12(2)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(33-4)26-10-13(16)3/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31)
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n/an/a 10n/an/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 1/3


(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/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of RSK phosphorylation after 2 hrs

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 1/3


(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/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs

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 1/3


(Homo sapiens (Human))		BDBM50505992
PNG
(CHEMBL4452853)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cn2CCN(Cc3cccc(Cl)c3)C(=O)c2n1
Show InChI InChI=1S/C22H21ClN8O/c1-14-11-24-22(27-18-6-7-25-29(18)2)28-19(14)17-13-30-8-9-31(21(32)20(30)26-17)12-15-4-3-5-16(23)10-15/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,24,27,28)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of RSK phosphorylation after 2 hrs

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 3


(Homo sapiens (Human))		BDBM206343
PNG
(US9259470, 167)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-19(11-29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)10-14)20(12-31)15-3-4-16(23)17(24)9-15/h3-11,20,31H,12H2,1-2H3,(H,25,26,27)/t20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM206343
PNG
(US9259470, 167)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-19(11-29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)10-14)20(12-31)15-3-4-16(23)17(24)9-15/h3-11,20,31H,12H2,1-2H3,(H,25,26,27)/t20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1/3


(Homo sapiens (Human))		BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay

Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50166412
PNG
(CHEMBL3797917)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2ccc(cc12)C(=O)NCc1c(Cl)cnc(Cl)c1Cl
Show InChI InChI=1S/C20H14Cl3N5O/c1-10-6-11(4-5-24-10)18-13-7-12(2-3-16(13)27-28-18)20(29)26-8-14-15(21)9-25-19(23)17(14)22/h2-7,9H,8H2,1H3,(H,26,29)(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ERK1 expressed in Escherichia coli using ser/thr 3 Peptide as substrate preincubated for 1 hr measured aft...

Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50458806
PNG
(CHEMBL4205192)
Show SMILES CCNc1nnc(o1)-c1ccc(cc1)C1=CCN(CC1)C(=O)CN1CC[C@@](C1)(SC)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,t:16|
Show InChI InChI=1S/C36H37FN8O3S/c1-3-38-35-43-42-33(48-35)26-6-4-23(5-7-26)24-14-17-45(18-15-24)31(46)21-44-19-16-36(22-44,49-2)34(47)39-28-12-13-30-29(20-28)32(41-40-30)25-8-10-27(37)11-9-25/h4-14,20H,3,15-19,21-22H2,1-2H3,(H,38,43)(H,39,47)(H,40,41)/t36-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay

ACS Med Chem Lett 9: 761-767 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM120114
PNG
(US8697715, 173 | US9259470, 173)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)c(C)n1 |r|
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-30-12-20(14(2)29-30)28-23-26-8-6-19(27-23)15-7-9-31(22(33)11-15)21(13-32)16-4-5-17(24)18(25)10-16/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM120114
PNG
(US8697715, 173 | US9259470, 173)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)c(C)n1 |r|
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-30-12-20(14(2)29-30)28-23-26-8-6-19(27-23)15-7-9-31(22(33)11-15)21(13-32)16-4-5-17(24)18(25)10-16/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 18n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay

Eur J Med Chem 94: 397-404 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.008
BindingDB Entry DOI: 10.7270/Q2BZ67SV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM50532349
PNG
(CHEMBL4474917)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r|
Show InChI InChI=1S/C23H22ClFN6O2/c1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16/h3-12,14,21,32H,13H2,1-2H3,(H,26,28,29)/t21-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)

J Med Chem 59: 5650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42
More data for this
Ligand-Target Pair
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