BDBM50064711 1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL306645
SMILES: COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
InChI Key: InChIKey=SKWSXDUHUVMPBT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AVPR1A (RAT) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from vasopressin V1a receptor in rat liver tissue | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.10 | 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 cloned human oxytocin receptor (OT-R) | J Med Chem 41: 2146-63 (1998) Article DOI: 10.1021/jm9800797 BindingDB Entry DOI: 10.7270/Q2SN083Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissue | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (RAT) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-oxytocin from oxytocin receptor in rat uterus tissue | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (RAT) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | 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 oxytocin receptor (OT-R) | J Med Chem 41: 2146-63 (1998) Article DOI: 10.1021/jm9800797 BindingDB Entry DOI: 10.7270/Q2SN083Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from vasopressin V1a receptor in human liver tissue | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 Receptor (Rattus norvegicus (Rat)) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from vasopressin V2 receptor in rat kidney tissue | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50064711 (1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from vasopressin V2 receptor in human kidney tissue | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair |