Compile Data Set for Download or QSAR

Found 510 hits with Last Name = 'st-gallay' and Initial = 's'   

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
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21995 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H24F3N3O5S/c1-12(2)9-28-21-18(19(31)27(3)22(28)33)17(20(32)29-10-14(30)11-34-29)16(35-21)8-13-6-4-5-7-15(13)23(24,25)26/h4-7,12,14,30H,8-11H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0900	-56.8	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21992 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Oc3cccc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H27N3O5S/c1-15(2)13-29-24-20(22(31)27(3)26(29)33)21(23(32)28-12-11-17(30)14-28)25(35-24)34-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,15,17,30H,11-14H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	-53.7	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21996 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H25N5O5S/c1-12(2)9-27-22-18(20(30)26(3)23(27)32)17(21(31)28-10-14(29)11-33-28)16(34-22)7-13-8-25-19-15(13)5-4-6-24-19/h4-6,8,12,14,29H,7,9-11H2,1-3H3,(H,24,25)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	-52.9	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21994 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H26N4O5S/c1-14(2)11-28-24-21(22(31)27(3)25(28)33)20(23(32)29-12-16(30)13-34-29)19(35-24)10-15-8-9-26-18-7-5-4-6-17(15)18/h4-9,14,16,30H,10-13H2,1-3H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.520	-52.5	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21987 (6-[(6-fluoroquinolin-4-yl)methyl]-5-{[(3R)-3-hydro...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccc(F)cc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H27FN4O4S/c1-14(2)12-31-25-22(23(33)29(3)26(31)35)21(24(34)30-9-7-17(32)13-30)20(36-25)10-15-6-8-28-19-5-4-16(27)11-18(15)19/h4-6,8,11,14,17,32H,7,9-10,12-13H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.810	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21998 (6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-{[(4S)-...) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-50.4	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21997 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1C[C@H](O)CO1 |r| Show InChI InChI=1S/C24H28N6O5S/c1-13(2)9-29-22-19(20(32)27(4)24(29)34)18(21(33)30-10-14(31)12-35-30)17(36-22)11-28-16-8-6-5-7-15(16)26-23(28)25-3/h5-8,13-14,31H,9-12H2,1-4H3,(H,25,26)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21993 (6-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]...) Show SMILES CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2n(CC(C)C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H23Cl2N5O4S/c1-9(2)7-26-18-13(16(27)23(4)19(26)29)12(17(28)24(5)30-6)11(31-18)8-25-10(3)22-14(20)15(25)21/h9H,7-8H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21985 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.80	-47.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21991 (5-{[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]carbonyl}...) Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)[C@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O5S/c1-14(2)11-30-25-22(23(33)28(3)26(30)35)21(24(34)29-12-18(31)19(32)13-29)20(36-25)10-15-8-9-27-17-7-5-4-6-16(15)17/h4-9,14,18-19,31-32H,10-13H2,1-3H3/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-42.6	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21990 (5-(azetidin-1-ylcarbonyl)-3-methyl-6-{[2-(methylam...) Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1CCC1 Show InChI InChI=1S/C24H28N6O3S/c1-14(2)12-30-22-19(20(31)27(4)24(30)33)18(21(32)28-10-7-11-28)17(34-22)13-29-16-9-6-5-8-15(16)26-23(29)25-3/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	-40.8	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21988 (N,N,3-trimethyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(t...) Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N(C)C)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H22F3N3O3S/c1-11(2)27-19-16(18(29)26(5)20(27)30)15(17(28)25(3)4)14(31-19)10-12-8-6-7-9-13(12)21(22,23)24/h6-9,11H,10H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	117	-39.2	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM21989 (3-{[3-methyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(trif...) Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H22F3N3O5S2/c1-12(2)28-20-17(18(29)26(3)21(28)31)16(19(30)27-8-9-35(32,33)11-27)15(34-20)10-13-6-4-5-7-14(13)22(23,24)25/h4-7,12H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>190	>-38.0	n/a	n/a	n/a	n/a	n/a	7.8	22
AstraZeneca					Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...				J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF
					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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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 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))	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))	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265956 (CHEMBL4080944) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C16H19N5O2/c22-15-11-9-14(20-12(11)1-5-17-15)13-2-6-18-16(21-13)19-10-3-7-23-8-4-10/h2,6,9-10,20H,1,3-5,7-8H2,(H,17,22)(H,18,19,21)	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	1.20	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))	BDBM50265967 (CHEMBL4079515) Show SMILES Cn1c2CCNC(=O)c2cc1-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C17H21N5O2/c1-22-14-3-7-18-16(23)12(14)10-15(22)13-2-6-19-17(21-13)20-11-4-8-24-9-5-11/h2,6,10-11H,3-5,7-9H2,1H3,(H,18,23)(H,19,20,21)	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	1.40	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	1.60	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))	BDBM50265969 (CHEMBL4088284) 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-/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	1.90	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))	BDBM50265935 (CHEMBL4074311) Show SMILES COCCN1CCc2[nH]c(cc2C1=O)-c1ccnc(Nc2ccnn2C)n1 Show InChI InChI=1S/C18H21N7O2/c1-24-16(4-7-20-24)23-18-19-6-3-14(22-18)15-11-12-13(21-15)5-8-25(17(12)26)9-10-27-2/h3-4,6-7,11,21H,5,8-10H2,1-2H3,(H,19,22,23)	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	2.5	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				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265974 (CHEMBL4082931) Show SMILES COCCN1CCc2c(cc(-c3ccnc(NC4CCOCC4)n3)n2C)C1=O Show InChI InChI=1S/C20H27N5O3/c1-24-17-4-8-25(9-12-27-2)19(26)15(17)13-18(24)16-3-7-21-20(23-16)22-14-5-10-28-11-6-14/h3,7,13-14H,4-6,8-12H2,1-2H3,(H,21,22,23)	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	2.70	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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