BDBM14844 1-[5-tert-Butyl-2-(6-methyl-pyridin-3-yl)-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea::3-[3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB-796 Analog 17::CHEMBL104991
SMILES: Cc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
InChI Key: InChIKey=RIECGSRTVPSRCE-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MAP kinase p38 (Mus musculus (mouse)) | BDBM14844 (1-[5-tert-Butyl-2-(6-methyl-pyridin-3-yl)-2H-pyraz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 0.180 | n/a | n/a | n/a | 7.0 | 25 |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete... | J Med Chem 46: 4676-86 (2003) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q24F1P00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM14844 (1-[5-tert-Butyl-2-(6-methyl-pyridin-3-yl)-2H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for Mitogen-activated protein kinase p38 alpha | Bioorg Med Chem Lett 13: 3101-4 (2003) BindingDB Entry DOI: 10.7270/Q2CR5SSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM14844 (1-[5-tert-Butyl-2-(6-methyl-pyridin-3-yl)-2H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | n/a | 0.0000230 | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Rate of dissociation from Mitogen-activated protein kinase p38 alpha | Bioorg Med Chem Lett 13: 3101-4 (2003) BindingDB Entry DOI: 10.7270/Q2CR5SSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM14844 (1-[5-tert-Butyl-2-(6-methyl-pyridin-3-yl)-2H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | n/a | 0.0000230 | 2.15E+4 | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for Mitogen-activated protein kinase p38 alpha | Bioorg Med Chem Lett 13: 3101-4 (2003) BindingDB Entry DOI: 10.7270/Q2CR5SSB | |||||||||||
More data for this Ligand-Target Pair |