BDBM14835 1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea::3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB-796 Analog 35::CHEMBL104749::Dopamine D2 receptor and serotonin 2a receptor::diaryl urea compound 4
SMILES: Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
InChI Key: InChIKey=DYRRBMLFLLRLKB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...) | 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 | Article PubMed | n/a | n/a | n/a | 23 | n/a | n/a | n/a | 7.0 | 23 |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The exchange curve assays were run as two half-reactions using an SLM Aminco Bowman Series 2 model SQ-340 fluorescence detector. In the first half re... | J Med Chem 46: 4669-75 (2003) Article DOI: 10.1021/jm030120s BindingDB Entry DOI: 10.7270/Q2833Q8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MAP kinase p38 (Mus musculus (mouse)) | BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...) | 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 | 26 | 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)) | BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...) | 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 | 0.00330 | 1.45E+5 | 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)) | BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...) | 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 | n/a | 1.45E+5 | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Rate of association to 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)) | BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...) | 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 | 23 | 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 |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...) | 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | PC cid PC sid | DrugBank GoogleScholar KEGG PDB | n/a | n/a | -10.1 | 8 | 7 | 25 | |
Boehringer Ingelheim Pharmaceuticals Inc. | J Med Chem 46: 4669-75 (2003) |