Found 6 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50030888' 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)) | 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)) | 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)) | 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)) | 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) by biochemical assay |
Bioorg Med Chem Lett 25: 1627-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.049 BindingDB Entry DOI: 10.7270/Q2BK1F1S |
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 non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay |
Bioorg Med Chem Lett 25: 1627-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.049 BindingDB Entry DOI: 10.7270/Q2BK1F1S |
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 | |