BDBM50227866 1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea::CHEMBL252258
SMILES: CC(=O)N1C2CCCC1C=C(CN1C3CCC1CC(C3)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2
InChI Key: InChIKey=IENZWNOPOBXYDA-UHFFFAOYSA-N
Data: 8 KI
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 |
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C-X-C chemokine receptor type 3 (Mus musculus) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Antagonist activity at mouse CXCR3 | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human)) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Antagonist activity at human CXCR3 by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Inhibition of muscarinic M1 receptor | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Inhibition of 5HT1A receptor | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Inhibition of muscarinic M2 receptor | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Inhibition of muscarinic M3 receptor | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 5A (Homo sapiens (Human)) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Inhibition of 5HT5A receptor | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50227866 (1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair |