BDBM50244065 2-(6,7-Dichloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-[1-(3'-methoxy-biphenyl-4-yl)-2-morpholin-4-yl-ethyl]-N-methyl-acetamide::CHEMBL453329
SMILES: COc1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
InChI Key: InChIKey=XFWGEKHPBVFSFW-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Urotensin II receptor (Homo sapiens (Human)) | BDBM50244065 (2-(6,7-Dichloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin...) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to human urotensin2 receptor | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50244065 (2-(6,7-Dichloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50244065 (2-(6,7-Dichloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin...) | PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor (unknown origin) | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50244065 (2-(6,7-Dichloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair |