Compile Data Set for Download or QSAR

Found 74 hits of ic50 data for complexid = 50000603   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM28123 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM50456348 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/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))	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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/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 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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))	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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50396073 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50419256 (CHEMBL1835065 | US9579320, Example 302) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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))	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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM120095 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50419265 (CHEMBL1835069) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50419258 (CHEMBL1835070) Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50419247 (CHEMBL1835071 | US8470835, 1) Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM120095 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM50419259 (CHEMBL1835072) Show SMILES COc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C17H22N6O3/c1-25-11-4-2-10(3-5-11)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-26-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50419260 (CHEMBL1834758) Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCNC3)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM50419250 (CHEMBL1834757) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50419253 (CHEMBL1835061) Show SMILES Cc1cccc(Nc2nc(NC[C@@H]3CCCN3)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)22-16-14(15(18)24)10-21-17(23-16)20-9-13-6-3-7-19-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50586289 (CHEMBL5070887) Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ERK1/2 in human COLO 205 cells assessed as inhibition of RSK phosphorylation				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 1/3 (Homo sapiens (Human))	BDBM50419255 (CHEMBL1835064) 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+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50419262 (CHEMBL1835068) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCC(F)(F)C[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-5-6-18(19,20)8-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM50095232 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...) Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibit ion of MAPK 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 1/3 (Homo sapiens (Human))	BDBM50456353 (CHEMBL4210682 | US11001575, Example 2) Show SMILES CN(C(=O)CN1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(C)(C)C Show InChI InChI=1S/C24H30ClN5O3/c1-24(2,3)29(4)20(31)14-30-13-16-6-5-15(11-18(16)22(30)32)21-19(25)12-26-23(28-21)27-17-7-9-33-10-8-17/h5-6,11-12,17H,7-10,13-14H2,1-4H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237225 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM50419251 (CHEMBL1835058) Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCNC3)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C16H20N6O/c1-10-3-2-4-11(7-10)20-15-13(14(17)23)9-19-16(22-15)21-12-5-6-18-8-12/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,17,23)(H2,19,20,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM26198 (4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....) Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase				Bioorg Med Chem Lett 12: 1219-23 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D67
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 1/3 (Homo sapiens (Human))	BDBM237214 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (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 DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237223 (1-(4-Fluorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(F)cc2)ccc1O Show InChI InChI=1S/C21H19FN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237222 (1-(4-Hydroxy-3-methoxybenzyl)-1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)N(Cc1ccc(O)c(OC)c1)C(=S)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O3S/c1-26-19-11-9-18(10-12-19)24(22(28)23-17-6-4-3-5-7-17)15-16-8-13-20(25)21(14-16)27-2/h3-14,25H,15H2,1-2H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237224 (1-(4-Chlorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C21H19ClN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237220 (1-(4-Hydroxy-3-methoxybenzyl)-1, 3-diphenylthioure...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccccc2)ccc1O Show InChI InChI=1S/C21H20N2O2S/c1-25-20-14-16(12-13-19(20)24)15-23(18-10-6-3-7-11-18)21(26)22-17-8-4-2-5-9-17/h2-14,24H,15H2,1H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237213 (1-(4-Chlorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...) Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C21H19ClN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237230 (1-(2, 4-Dichlorophenyl)-1-(4-hydroxy-3-methoxybenz...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Cl)cc2Cl)ccc1O Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-20-11-14(7-10-19(20)26)13-25(18-9-8-15(22)12-17(18)23)21(28)24-16-5-3-2-4-6-16/h2-12,26H,13H2,1H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237212 (1-(4-Fluorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...) Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(F)cc2)ccc1O Show InChI InChI=1S/C21H19FN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237219 (1-(2, 4-Dichlorophenyl)-1-(4-hydroxy-3-methoxybenz...) Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Cl)cc2Cl)ccc1O Show InChI InChI=1S/C21H18Cl2N2O3/c1-28-20-11-14(7-10-19(20)26)13-25(18-9-8-15(22)12-17(18)23)21(27)24-16-5-3-2-4-6-16/h2-12,26H,13H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair

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