BDBM14840 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-pyridin-4-yl-ethoxy)-naphthalen-1-yl]-urea::3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(pyridin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB-796 Analog 30::diaryl urea compound 9
SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
InChI Key: InChIKey=RCOGIBMVENMBNJ-UHFFFAOYSA-N
PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM14840 (1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 0.5 | 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)) | BDBM14840 (1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM14840 (1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sygnature Discovery Limited Curated by ChEMBL | Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi... | J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase HCK (Homo sapiens (Human)) | BDBM14840 (1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 901 | n/a | n/a | n/a | n/a | n/a | n/a |
Sygnature Discovery Limited Curated by ChEMBL | Assay Description Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET peptide addition measured after 1 hr by Z-LYTE assay | J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 12 (Homo sapiens (Human)) | BDBM14840 (1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Sygnature Discovery Limited Curated by ChEMBL | Assay Description Inhibition of human recombinant p38 gamma assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi... | J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB | |||||||||||
More data for this Ligand-Target Pair |