BDBM13533 1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea::1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea::3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB 796::BIRB-796::BIRB-796, 3::CHEMBL103667::D3RKN_73::Doramapimod::US11407771, Compound 43::US8933228, BIRB 796::US9187470, 43 (BIRB-796)::US9242960, BIRB 796::US9260410, BIRB796::cid_156422::diaryl urea compound 10

SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

InChI Key InChIKey=MVCOAUNKQVWQHZ-UHFFFAOYSA-N

Data  7 KI  235 IC50  891 Kd  1 EC50  1 Koff  1 Kon

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 13533   

TargetMitogen-activated protein kinase 12(Homo sapiens (Human))
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM13533(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Affinity DataIC50:  102nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase HCK(Homo sapiens (Human))
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM13533(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Affinity DataIC50: >1.90E+4nMAssay Description:Inhibitory concentration required for in vitro binding affinity to cholinergic central Nicotinic acetylcholine receptor on rat brain cortex by using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM13533(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Affinity DataIC50:  20nMAssay 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...More data for this Ligand-Target Pair