BDBM50305514 (R)-2-methoxy-5-(3-methyl-5-(3-(o-tolyloxy)pyrrolidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine::CHEMBL592731
SMILES: COc1ccc(cn1)-n1c(C)nnc1N1CC[C@H](C1)Oc1ccccc1C
InChI Key: InChIKey=XHLKHNZUBYHMGL-QGZVFWFLSA-N
Data: 3 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)) | BDBM50305514 ((R)-2-methoxy-5-(3-methyl-5-(3-(o-tolyloxy)pyrroli...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35.9 | 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 cloned oxytocin receptor by cell based beta lactamase assay | Bioorg Med Chem Lett 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50305514 ((R)-2-methoxy-5-(3-methyl-5-(3-(o-tolyloxy)pyrroli...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 734 | 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 cloned vasopressin V1a receptor by cell based beta lactamase assay | Bioorg Med Chem Lett 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50305514 ((R)-2-methoxy-5-(3-methyl-5-(3-(o-tolyloxy)pyrroli...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | 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 cloned vasopressin V2 receptor by cell based beta lactamase assay | Bioorg Med Chem Lett 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF | |||||||||||
More data for this Ligand-Target Pair |