BDBM50313817 5-(3-(3-(3-fluoro-2-methylphenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine::CHEMBL1089391
SMILES: COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1cccc(F)c1C
InChI Key: InChIKey=JUFRUJUEPUECPC-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxytocin receptor (Homo sapiens (Human)) | BDBM50313817 (5-(3-(3-(3-fluoro-2-methylphenoxy)azetidin-1-yl)-5...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Antagonist activity at human oxytocin receptor expressed in CHO cells by beta lactamase assay | Bioorg Med Chem Lett 20: 1851-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.143 BindingDB Entry DOI: 10.7270/Q2K074F1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50313817 (5-(3-(3-(3-fluoro-2-methylphenoxy)azetidin-1-yl)-5...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Antagonist activity at human vasopressin V1A receptor | Bioorg Med Chem Lett 20: 1851-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.143 BindingDB Entry DOI: 10.7270/Q2K074F1 | |||||||||||
More data for this Ligand-Target Pair |