Found 8 hits for monomerid = 50337134 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Extracellular signal-regulated kinase 5 (ERK5)
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description In vitro biochemical assays were performed in parallel to determine the most potent tool compound. |
Chem Biol 18: 868-79 (2011)
Article DOI: 10.1016/j.chembiol.2011.05.010 BindingDB Entry DOI: 10.7270/Q2HD7T57 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Extracellular signal-regulated kinase 5 (ERK5)
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
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| PDB US Patent
| n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound. |
US Patent US9266890 (2016)
BindingDB Entry DOI: 10.7270/Q27M06RB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Extracellular signal-regulated kinase 5 (ERK5)
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis |
ACS Med Chem Lett 2: 195-200 (2011)
Article DOI: 10.1021/ml100304b BindingDB Entry DOI: 10.7270/Q2222VSB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as... |
J Med Chem 63: 7817-7826 (2020)
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
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| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of BRD4 (unknown origin) |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Extracellular signal-regulated kinase 5 (ERK5)
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
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| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin... |
J Med Chem 62: 928-940 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01606 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase DCLK1
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB MMDB
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| n/a | n/a | 716 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... |
J Med Chem 63: 7817-7826 (2020)
|
More data for this Ligand-Target Pair | |
Extracellular signal-regulated kinase 5 (ERK5)
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of ERK5 in human HeLa cells incubated for 15 mins prior to ATP addition by KiNativ profiling method |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |