Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50044805 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)) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030881
(CHEMBL3356117)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030886
(CHEMBL3356119)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3cccc(Cl)c3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26Cl2N4O3/c24-17-2-1-3-19(12-17)28-8-10-29(11-9-28)22(31)15-27-7-6-16(14-27)23(32)26-18-4-5-21(30)20(25)13-18/h1-5,12-13,16,30H,6-11,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030876
(CHEMBL3356123)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccoc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O4/c28-24-15-22(3-6-25(24)33)29-27(35)20-7-9-30(16-20)17-26(34)32-12-10-31(11-13-32)23-4-1-19(2-5-23)21-8-14-36-18-21/h1-6,8,14-15,18,20,33H,7,9-13,16-17H2,(H,29,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030881
(CHEMBL3356117)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030883
(CHEMBL3356115)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030886
(CHEMBL3356119)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3cccc(Cl)c3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26Cl2N4O3/c24-17-2-1-3-19(12-17)28-8-10-29(11-9-28)22(31)15-27-7-6-16(14-27)23(32)26-18-4-5-21(30)20(25)13-18/h1-5,12-13,16,30H,6-11,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030888
(CHEMBL3356121)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3)C2)cc1Cl |r| Show InChI InChI=1S/C29H31ClN4O3/c30-26-18-24(8-11-27(26)35)31-29(37)23-12-13-32(19-23)20-28(36)34-16-14-33(15-17-34)25-9-6-22(7-10-25)21-4-2-1-3-5-21/h1-11,18,23,35H,12-17,19-20H2,(H,31,37)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030877
(CHEMBL3356124)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030877
(CHEMBL3356124)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030883
(CHEMBL3356115)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030880
(CHEMBL3356128)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(F)c1 |r| Show InChI InChI=1S/C25H29FN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030889
(CHEMBL3356122)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccsc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O3S/c28-24-15-22(3-6-25(24)33)29-27(35)20-7-9-30(16-20)17-26(34)32-12-10-31(11-13-32)23-4-1-19(2-5-23)21-8-14-36-18-21/h1-6,8,14-15,18,20,33H,7,9-13,16-17H2,(H,29,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030876
(CHEMBL3356123)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccoc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O4/c28-24-15-22(3-6-25(24)33)29-27(35)20-7-9-30(16-20)17-26(34)32-12-10-31(11-13-32)23-4-1-19(2-5-23)21-8-14-36-18-21/h1-6,8,14-15,18,20,33H,7,9-13,16-17H2,(H,29,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030885
(CHEMBL3356118)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030881
(CHEMBL3356117)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030890
(CHEMBL3356127)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Br)c1 |r| Show InChI InChI=1S/C25H29BrN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030877
(CHEMBL3356124)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030880
(CHEMBL3356128)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(F)c1 |r| Show InChI InChI=1S/C25H29FN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030886
(CHEMBL3356119)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3cccc(Cl)c3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26Cl2N4O3/c24-17-2-1-3-19(12-17)28-8-10-29(11-9-28)22(31)15-27-7-6-16(14-27)23(32)26-18-4-5-21(30)20(25)13-18/h1-5,12-13,16,30H,6-11,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030888
(CHEMBL3356121)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3)C2)cc1Cl |r| Show InChI InChI=1S/C29H31ClN4O3/c30-26-18-24(8-11-27(26)35)31-29(37)23-12-13-32(19-23)20-28(36)34-16-14-33(15-17-34)25-9-6-22(7-10-25)21-4-2-1-3-5-21/h1-11,18,23,35H,12-17,19-20H2,(H,31,37)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030885
(CHEMBL3356118)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030884
(CHEMBL3356116)Show SMILES Oc1ccc(NC(=O)C2CCN(CC(=O)N3CCN(CC3)c3cccc(Cl)c3)C2)cc1 Show InChI InChI=1S/C23H27ClN4O3/c24-18-2-1-3-20(14-18)27-10-12-28(13-11-27)22(30)16-26-9-8-17(15-26)23(31)25-19-4-6-21(29)7-5-19/h1-7,14,17,29H,8-13,15-16H2,(H,25,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030887
(CHEMBL3356120)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(Br)cc3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26BrClN4O3/c24-17-1-4-19(5-2-17)28-9-11-29(12-10-28)22(31)15-27-8-7-16(14-27)23(32)26-18-3-6-21(30)20(25)13-18/h1-6,13,16,30H,7-12,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030889
(CHEMBL3356122)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccsc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O3S/c28-24-15-22(3-6-25(24)33)29-27(35)20-7-9-30(16-20)17-26(34)32-12-10-31(11-13-32)23-4-1-19(2-5-23)21-8-14-36-18-21/h1-6,8,14-15,18,20,33H,7,9-13,16-17H2,(H,29,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030882
(CHEMBL3356114)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030883
(CHEMBL3356115)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030880
(CHEMBL3356128)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(F)c1 |r| Show InChI InChI=1S/C25H29FN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030876
(CHEMBL3356123)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccoc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O4/c28-24-15-22(3-6-25(24)33)29-27(35)20-7-9-30(16-20)17-26(34)32-12-10-31(11-13-32)23-4-1-19(2-5-23)21-8-14-36-18-21/h1-6,8,14-15,18,20,33H,7,9-13,16-17H2,(H,29,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030877
(CHEMBL3356124)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030884
(CHEMBL3356116)Show SMILES Oc1ccc(NC(=O)C2CCN(CC(=O)N3CCN(CC3)c3cccc(Cl)c3)C2)cc1 Show InChI InChI=1S/C23H27ClN4O3/c24-18-2-1-3-20(14-18)27-10-12-28(13-11-27)22(30)16-26-9-8-17(15-26)23(31)25-19-4-6-21(29)7-5-19/h1-7,14,17,29H,8-13,15-16H2,(H,25,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030882
(CHEMBL3356114)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030889
(CHEMBL3356122)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccsc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O3S/c28-24-15-22(3-6-25(24)33)29-27(35)20-7-9-30(16-20)17-26(34)32-12-10-31(11-13-32)23-4-1-19(2-5-23)21-8-14-36-18-21/h1-6,8,14-15,18,20,33H,7,9-13,16-17H2,(H,29,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030886
(CHEMBL3356119)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3cccc(Cl)c3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26Cl2N4O3/c24-17-2-1-3-19(12-17)28-8-10-29(11-9-28)22(31)15-27-7-6-16(14-27)23(32)26-18-4-5-21(30)20(25)13-18/h1-5,12-13,16,30H,6-11,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030891
(CHEMBL3356129)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(C)c1 |r| Show InChI InChI=1S/C26H32N4O4/c1-18-15-22(5-8-24(18)32)27-26(34)21-9-10-28(16-21)17-25(33)30-13-11-29(12-14-30)23-6-3-20(4-7-23)19(2)31/h3-8,15,21,32H,9-14,16-17H2,1-2H3,(H,27,34)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030881
(CHEMBL3356117)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030887
(CHEMBL3356120)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(Br)cc3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26BrClN4O3/c24-17-1-4-19(5-2-17)28-9-11-29(12-10-28)22(31)15-27-8-7-16(14-27)23(32)26-18-3-6-21(30)20(25)13-18/h1-6,13,16,30H,7-12,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030884
(CHEMBL3356116)Show SMILES Oc1ccc(NC(=O)C2CCN(CC(=O)N3CCN(CC3)c3cccc(Cl)c3)C2)cc1 Show InChI InChI=1S/C23H27ClN4O3/c24-18-2-1-3-20(14-18)27-10-12-28(13-11-27)22(30)16-26-9-8-17(15-26)23(31)25-19-4-6-21(29)7-5-19/h1-7,14,17,29H,8-13,15-16H2,(H,25,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030890
(CHEMBL3356127)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Br)c1 |r| Show InChI InChI=1S/C25H29BrN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030885
(CHEMBL3356118)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030882
(CHEMBL3356114)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030891
(CHEMBL3356129)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(C)c1 |r| Show InChI InChI=1S/C26H32N4O4/c1-18-15-22(5-8-24(18)32)27-26(34)21-9-10-28(16-21)17-25(33)30-13-11-29(12-14-30)23-6-3-20(4-7-23)19(2)31/h3-8,15,21,32H,9-14,16-17H2,1-2H3,(H,27,34)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030883
(CHEMBL3356115)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030888
(CHEMBL3356121)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3)C2)cc1Cl |r| Show InChI InChI=1S/C29H31ClN4O3/c30-26-18-24(8-11-27(26)35)31-29(37)23-12-13-32(19-23)20-28(36)34-16-14-33(15-17-34)25-9-6-22(7-10-25)21-4-2-1-3-5-21/h1-11,18,23,35H,12-17,19-20H2,(H,31,37)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030887
(CHEMBL3356120)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(Br)cc3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26BrClN4O3/c24-17-1-4-19(5-2-17)28-9-11-29(12-10-28)22(31)15-27-8-7-16(14-27)23(32)26-18-3-6-21(30)20(25)13-18/h1-6,13,16,30H,7-12,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030876
(CHEMBL3356123)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccoc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O4/c28-24-15-22(3-6-25(24)33)29-27(35)20-7-9-30(16-20)17-26(34)32-12-10-31(11-13-32)23-4-1-19(2-5-23)21-8-14-36-18-21/h1-6,8,14-15,18,20,33H,7,9-13,16-17H2,(H,29,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030888
(CHEMBL3356121)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3)C2)cc1Cl |r| Show InChI InChI=1S/C29H31ClN4O3/c30-26-18-24(8-11-27(26)35)31-29(37)23-12-13-32(19-23)20-28(36)34-16-14-33(15-17-34)25-9-6-22(7-10-25)21-4-2-1-3-5-21/h1-11,18,23,35H,12-17,19-20H2,(H,31,37)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030887
(CHEMBL3356120)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(Br)cc3)C2)cc1Cl |r| Show InChI InChI=1S/C23H26BrClN4O3/c24-17-1-4-19(5-2-17)28-9-11-29(12-10-28)22(31)15-27-8-7-16(14-27)23(32)26-18-3-6-21(30)20(25)13-18/h1-6,13,16,30H,7-12,14-15H2,(H,26,32)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50030878
(CHEMBL3356125)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)cc1Cl |r| Show InChI InChI=1S/C25H29ClN4O4/c1-17(31)18-2-4-20(5-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-23-7-6-21(32)14-22(23)26/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay |
J Med Chem 57: 8817-26 (2014)
Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D |
More data for this Ligand-Target Pair | |