Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'davies' and Initial = 'ej'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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 1/3 (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))	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 (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	2.60	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 1/3 (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))	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))	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))	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))	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))	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))	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))	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))	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))	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)
Cyclin-dependent kinase 5 activator 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 antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His-tagged CDK5/p35 expressed in baculovirus expression system				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
Cyclin-dependent kinase 5 activator 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 antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length human GST/His-tagged CDK5/p25 expressed in baculovirus expression system				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
NUAK family SNF1-like 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	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His-tagged ARK5 expressed in baculovirus expression system				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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged Cdk2/human full length N-terminal GST-tagged Cyclin E expressed in baculovirus infected Sf21 i...				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))	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)
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				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	>1.40E+4	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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				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	n/a	0.0501	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis				J Med Chem 62: 11004-11018 (2019) Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z
					More data for this Ligand-Target Pair				3D 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	n/a	0.100	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis				J Med Chem 62: 11004-11018 (2019) Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	0.100	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis				J Med Chem 62: 11004-11018 (2019) Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	0.794	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis				J Med Chem 62: 11004-11018 (2019) Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis				J Med Chem 62: 11004-11018 (2019) Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)

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