Compile Data Set for Download or QSAR

Found 691 hits with Last Name = 'hopcroft' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505991 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265958 (CHEMBL4086507) Show SMILES COCCN1[C@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094464 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094465 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265973 (CHEMBL4075638) 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-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265971 (CHEMBL4087393) Show SMILES COCCN1[C@@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265962 (CHEMBL4101072) Show SMILES Cc1cccc(CN2CCn3cc(cc3C2=O)-c2nc(Nc3ccnn3C)ncc2C)n1 Show InChI InChI=1S/C23H24N8O/c1-15-12-24-23(27-20-7-8-25-29(20)3)28-21(15)17-11-19-22(32)31(10-9-30(19)13-17)14-18-6-4-5-16(2)26-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505993 (CHEMBL4587118) Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2C(=O)N(Cc3ccc(F)c(F)c3)CCn2c1 Show InChI InChI=1S/C23H21F2N7O/c1-14-11-26-23(28-20-5-6-27-30(20)2)29-21(14)16-10-19-22(33)32(8-7-31(19)13-16)12-15-3-4-17(24)18(25)9-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50094464 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094465 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505988 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505994 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50505989 (CHEMBL4551714) Show SMILES COC[C@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C25H28N8O2/c1-16-11-26-25(29-22-8-9-27-31(22)3)30-23(16)18-10-21-24(34)33(13-19-7-5-6-17(2)28-19)20(15-35-4)14-32(21)12-18/h5-12,20H,13-15H2,1-4H3,(H,26,29,30)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50505992 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50505991 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265959 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265970 (CHEMBL4097186) Show SMILES O=C1N(Cc2ccccc2)CCc2[nH]c(cc12)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H25N5O2/c29-22-18-14-21(20-6-10-24-23(27-20)25-17-8-12-30-13-9-17)26-19(18)7-11-28(22)15-16-4-2-1-3-5-16/h1-6,10,14,17,26H,7-9,11-13,15H2,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265971 (CHEMBL4087393) Show SMILES COCCN1[C@@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265968 (CHEMBL4065992) Show SMILES COCCN1[C@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265961 (CHEMBL4090886) Show SMILES COCCN1CCn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C Show InChI InChI=1S/C19H23N7O2/c1-13-11-20-19(22-16-4-5-21-24(16)2)23-17(13)14-10-15-18(27)25(8-9-28-3)6-7-26(15)12-14/h4-5,10-12H,6-9H2,1-3H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265960 (CHEMBL4098608) Show SMILES COCCN1[C@@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265968 (CHEMBL4065992) Show SMILES COCCN1[C@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265962 (CHEMBL4101072) Show SMILES Cc1cccc(CN2CCn3cc(cc3C2=O)-c2nc(Nc3ccnn3C)ncc2C)n1 Show InChI InChI=1S/C23H24N8O/c1-15-12-24-23(27-20-7-8-25-29(20)3)28-21(15)17-11-19-22(32)31(10-9-30(19)13-17)14-18-6-4-5-16(2)26-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265961 (CHEMBL4090886) Show SMILES COCCN1CCn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C Show InChI InChI=1S/C19H23N7O2/c1-13-11-20-19(22-16-4-5-21-24(16)2)23-17(13)14-10-15-18(27)25(8-9-28-3)6-7-26(15)12-14/h4-5,10-12H,6-9H2,1-3H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265960 (CHEMBL4098608) Show SMILES COCCN1[C@@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265959 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265958 (CHEMBL4086507) Show SMILES COCCN1[C@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265934 (CHEMBL4060050) Show SMILES COCCN1[C@@H](C)Cc2[nH]c(cc2C1=O)-c1ccnc(Nc2ccnn2C)n1 |r| Show InChI InChI=1S/C19H23N7O2/c1-12-10-15-13(18(27)26(12)8-9-28-3)11-16(22-15)14-4-6-20-19(23-14)24-17-5-7-21-25(17)2/h4-7,11-12,22H,8-10H2,1-3H3,(H,20,23,24)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094465 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265938 (CHEMBL4096522) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c25-17-11-14(1-2-18(17)26)22(13-32)31-8-4-19-16(23(31)33)12-21(29-19)20-3-7-27-24(30-20)28-15-5-9-34-10-6-15/h1-3,7,11-12,15,22,29,32H,4-6,8-10,13H2,(H,27,28,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265970 (CHEMBL4097186) Show SMILES O=C1N(Cc2ccccc2)CCc2[nH]c(cc12)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H25N5O2/c29-22-18-14-21(20-6-10-24-23(27-20)25-17-8-12-30-13-9-17)26-19(18)7-11-28(22)15-16-4-2-1-3-5-16/h1-6,10,14,17,26H,7-9,11-13,15H2,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505994 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265934 (CHEMBL4060050) Show SMILES COCCN1[C@@H](C)Cc2[nH]c(cc2C1=O)-c1ccnc(Nc2ccnn2C)n1 |r| Show InChI InChI=1S/C19H23N7O2/c1-12-10-15-13(18(27)26(12)8-9-28-3)11-16(22-15)14-4-6-20-19(23-14)24-17-5-7-21-25(17)2/h4-7,11-12,22H,8-10H2,1-3H3,(H,20,23,24)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505992 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265939 (CHEMBL4078489) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O3/c30-15-22(16-4-2-1-3-5-16)29-11-7-19-18(23(29)31)14-21(27-19)20-6-10-25-24(28-20)26-17-8-12-32-13-9-17/h1-6,10,14,17,22,27,30H,7-9,11-13,15H2,(H,25,26,28)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505993 (CHEMBL4587118) Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2C(=O)N(Cc3ccc(F)c(F)c3)CCn2c1 Show InChI InChI=1S/C23H21F2N7O/c1-14-11-26-23(28-20-5-6-27-30(20)2)29-21(14)16-10-19-22(33)32(8-7-31(19)13-16)12-15-3-4-17(24)18(25)9-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265963 (CHEMBL4083098) Show SMILES CC1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1ccnc(Nc2ccnn2C)n1 Show InChI InChI=1S/C23H24N8O/c1-15-5-4-6-18(26-15)14-31-16(2)12-30-13-17(11-20(30)22(31)32)19-7-9-24-23(27-19)28-21-8-10-25-29(21)3/h4-11,13,16H,12,14H2,1-3H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.390	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265939 (CHEMBL4078489) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O3/c30-15-22(16-4-2-1-3-5-16)29-11-7-19-18(23(29)31)14-21(27-19)20-6-10-25-24(28-20)26-17-8-12-32-13-9-17/h1-6,10,14,17,22,27,30H,7-9,11-13,15H2,(H,25,26,28)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265936 (CHEMBL4068705) Show SMILES Cc1cccc(CN2CCc3[nH]c(cc3C2=O)-c2ccnc(NC3CCOCC3)n2)n1 Show InChI InChI=1S/C23H26N6O2/c1-15-3-2-4-17(25-15)14-29-10-6-19-18(22(29)30)13-21(27-19)20-5-9-24-23(28-20)26-16-7-11-31-12-8-16/h2-5,9,13,16,27H,6-8,10-12,14H2,1H3,(H,24,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265966 (CHEMBL4103768) Show SMILES Cn1c2CCN(Cc3ccccc3)C(=O)c2cc1-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C24H27N5O2/c1-28-21-8-12-29(16-17-5-3-2-4-6-17)23(30)19(21)15-22(28)20-7-11-25-24(27-20)26-18-9-13-31-14-10-18/h2-7,11,15,18H,8-10,12-14,16H2,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.480	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265959 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265959 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505989 (CHEMBL4551714) Show SMILES COC[C@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C25H28N8O2/c1-16-11-26-25(29-22-8-9-27-31(22)3)30-23(16)18-10-21-24(34)33(13-19-7-5-6-17(2)28-19)20(15-35-4)14-32(21)12-18/h5-12,20H,13-15H2,1-4H3,(H,26,29,30)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50505988 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265938 (CHEMBL4096522) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c25-17-11-14(1-2-18(17)26)22(13-32)31-8-4-19-16(23(31)33)12-21(29-19)20-3-7-27-24(30-20)28-15-5-9-34-10-6-15/h1-3,7,11-12,15,22,29,32H,4-6,8-10,13H2,(H,27,28,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50505990 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence...				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 (Homo sapiens (Human))	BDBM50265973 (CHEMBL4075638) 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-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265936 (CHEMBL4068705) Show SMILES Cc1cccc(CN2CCc3[nH]c(cc3C2=O)-c2ccnc(NC3CCOCC3)n2)n1 Show InChI InChI=1S/C23H26N6O2/c1-15-3-2-4-17(25-15)14-29-10-6-19-18(22(29)30)13-21(27-19)20-5-9-24-23(28-20)26-16-7-11-31-12-8-16/h2-5,9,13,16,27H,6-8,10-12,14H2,1H3,(H,24,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265972 (CHEMBL4074437) Show SMILES COCCN1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C19H25N5O3/c1-26-11-8-24-7-3-15-14(18(24)25)12-17(22-15)16-2-6-20-19(23-16)21-13-4-9-27-10-5-13/h2,6,12-13,22H,3-5,7-11H2,1H3,(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265937 (CHEMBL4100076) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c25-17-2-1-14(11-18(17)26)22(13-32)31-8-4-19-16(23(31)33)12-21(29-19)20-3-7-27-24(30-20)28-15-5-9-34-10-6-15/h1-3,7,11-12,15,22,29,32H,4-6,8-10,13H2,(H,27,28,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair

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