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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vasopressin V1a receptor | ||
| Ligand | BDBM50418929 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_758215 (CHEMBL1810552) | ||
| Ki | 0.0372±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: |
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| BDBM50418929 | |||
| n/a | |||
| Name | BDBM50418929 | ||
| Synonyms: | CHEMBL1807272 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H37ClFN3O2 | ||
| Mol. Mass. | 514.074 | ||
| SMILES | CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1 |r,wU:6.9,12.22,wD:3.2,(27.45,1.1,;26.1,1.87,;26.1,3.43,;24.76,1.09,;23.43,1.85,;22.1,1.08,;22.12,-.45,;23.44,-1.21,;24.76,-.44,;20.8,-1.22,;19.47,-.46,;19.46,1.08,;18.14,-1.23,;18.14,-2.77,;16.81,-3.55,;15.48,-2.78,;14.15,-3.55,;14.16,-5.1,;12.83,-5.87,;15.5,-5.86,;16.83,-5.08,;16.8,-.47,;16.8,1.07,;18.12,1.84,;15.46,1.83,;16.71,2.75,;16.22,4.23,;14.67,4.22,;14.19,2.74,;14.13,1.06,;12.79,1.82,;11.47,1.05,;11.47,-.49,;10.13,-1.26,;12.8,-1.26,;14.13,-.49,)| | ||
| Structure | 
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