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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vasopressin V1a receptor | ||
| Ligand | BDBM50418909 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_758292 (CHEMBL1810823) | ||
| Ki | 2.09±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: | Avpr1a | V1AR_RAT | VASOPRESSIN V1A | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 47674.81 | ||
| Organism: | RAT | ||
| Description: | VASOPRESSIN V1A AVPR1A RAT::P30560 | ||
| Residue: | 424 | ||
| Sequence: |
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| BDBM50418909 | |||
| n/a | |||
| Name | BDBM50418909 | ||
| Synonyms: | CHEMBL1807270 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H35Cl2N3O2 | ||
| Mol. Mass. | 516.502 | ||
| SMILES | CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(Cl)cc1 |r,wU:6.9,12.22,wD:3.2,(30.13,-31,;28.77,-30.23,;28.77,-28.67,;27.43,-31.01,;26.1,-30.25,;24.77,-31.02,;24.79,-32.55,;26.12,-33.31,;27.43,-32.54,;23.48,-33.32,;22.14,-32.56,;22.14,-31.02,;20.81,-33.33,;20.81,-34.87,;19.49,-35.65,;18.15,-34.88,;16.82,-35.65,;16.83,-37.19,;15.5,-37.97,;18.17,-37.96,;19.5,-37.18,;19.47,-32.57,;19.47,-31.03,;20.8,-30.25,;18.13,-30.26,;19.23,-29.16,;18.12,-28.06,;17.02,-29.17,;16.8,-31.04,;15.46,-30.28,;14.14,-31.05,;14.14,-32.59,;12.81,-33.35,;15.47,-33.36,;16.81,-32.59,)| | ||
| Structure | 
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