BDBM50108501 2-Methyl-furan-3-carboxylic acid (4-{5-[2-(4-dimethylamino-piperidin-1-yl)-2-oxo-ethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl}-phenyl)-amide::CHEMBL310921
SMILES: CN(C)C1CCN(CC1)C(=O)\C=C1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1
InChI Key: InChIKey=LVTAYNFTXWQUMY-NHFJDJAPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vasopressin V1a receptor (RAT) | BDBM50108501 (2-Methyl-furan-3-carboxylic acid (4-{5-[2-(4-dimet...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL | Assay Description Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand | Bioorg Med Chem Lett 12: 229-32 (2001) BindingDB Entry DOI: 10.7270/Q2R78FQP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Rattus norvegicus (Rat)) | BDBM50108501 (2-Methyl-furan-3-carboxylic acid (4-{5-[2-(4-dimet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL | Assay Description Evaluated for the binding affinity towards vasopressin (V2) receptor in rat kidney membrane using [3H]AVP as radioligand | Bioorg Med Chem Lett 12: 229-32 (2001) BindingDB Entry DOI: 10.7270/Q2R78FQP | |||||||||||
More data for this Ligand-Target Pair |