BDBM50077032 1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24526
SMILES: CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
InChI Key: InChIKey=VGSQHYIAUDIJTE-UHFFFAOYSA-N
Data: 6 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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Oxytocin receptor (RAT) | BDBM50077032 (1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity for rat uterine oxytocin receptor (rOTr) | Bioorg Med Chem Lett 9: 1311-6 (1999) BindingDB Entry DOI: 10.7270/Q23N22K9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50077032 (1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity for human oxytocin receptor | Bioorg Med Chem Lett 9: 1311-6 (1999) BindingDB Entry DOI: 10.7270/Q23N22K9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (RAT) | BDBM50077032 (1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards rat liver Vasopressin V1a receptor by using functional assay | Bioorg Med Chem Lett 9: 1311-6 (1999) BindingDB Entry DOI: 10.7270/Q23N22K9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50077032 (1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards cloned human Vasopressin V2 receptor by using functional assay | Bioorg Med Chem Lett 9: 1311-6 (1999) BindingDB Entry DOI: 10.7270/Q23N22K9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Rattus norvegicus (Rat)) | BDBM50077032 (1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards rat kidney Vasopressin V2 receptor by using functional assay | Bioorg Med Chem Lett 9: 1311-6 (1999) BindingDB Entry DOI: 10.7270/Q23N22K9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50077032 (1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human Vasopressin V1a receptor by using functional assay | Bioorg Med Chem Lett 9: 1311-6 (1999) BindingDB Entry DOI: 10.7270/Q23N22K9 | |||||||||||
More data for this Ligand-Target Pair |