Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vasopressin V1a receptor | ||
| Ligand | BDBM50418905 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_758215 (CHEMBL1810552) | ||
| Ki | 0.24±n/a nM | ||
| Citation |  Arbuckle, W; Baker, J; Barn, D; Bingham, M; Brown, A; Buchanan, K; Craighead, M; Goodwin, R; Goutcher, S; Kiczun, M; Lyons, A; Milne, R; Montgomery, B; Napier, S; Presland, J; Sloan, H; Turnbull, Z; Wishart, G Optimisation of pharmacokinetic properties to afford an orally bioavailable and selective V1A receptor antagonist. Bioorg Med Chem Lett21:4622-8 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Vasopressin V1a receptor | |||
| Name: | Vasopressin V1a receptor | ||
| Synonyms: | AVPR V1a | AVPR1 | AVPR1A | Antidiuretic hormone receptor 1a | V1AR_HUMAN | V1aR | VASOPRESSIN V1A | Vascular/hepatic-type arginine vasopressin receptor | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor | ||
| Type: | Receptor | ||
| Mol. Mass.: | 46820.18 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P37288 | ||
| Residue: | 418 | ||
| Sequence: |
| ||
| BDBM50418905 | |||
| n/a | |||
| Name | BDBM50418905 | ||
| Synonyms: | CHEMBL1807273 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H33ClFN3O2 | ||
| Mol. Mass. | 486.021 | ||
| SMILES | CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(F)cc1 |r,wU:6.9,12.22,wD:3.2,(9.5,-10.04,;8.15,-9.27,;8.14,-7.71,;6.8,-10.05,;5.47,-9.29,;4.14,-10.06,;4.17,-11.59,;5.49,-12.35,;6.8,-11.58,;2.85,-12.36,;1.51,-11.6,;1.51,-10.06,;.18,-12.37,;.18,-13.91,;-1.14,-14.69,;-1.13,-16.22,;-2.46,-17,;-3.8,-16.23,;-5.15,-17.02,;-3.81,-14.69,;-2.48,-13.92,;-1.16,-11.61,;-1.16,-10.07,;.17,-9.29,;-2.5,-9.3,;-1.73,-7.95,;-3.29,-7.96,;-3.83,-10.08,;-5.17,-9.31,;-6.49,-10.09,;-6.5,-11.63,;-7.83,-12.39,;-5.17,-12.4,;-3.83,-11.63,)| | ||
| Structure | 
| ||