Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Vasopressin V1a receptor | ||
Ligand | BDBM50418923 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_758215 (CHEMBL1810552) | ||
Ki | 1.78±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: |
| ||
BDBM50418923 | |||
n/a | |||
Name | BDBM50418923 | ||
Synonyms: | CHEMBL1807280 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H26Cl2N2O3 | ||
Mol. Mass. | 449.37 | ||
SMILES | O[C@H]1CC[C@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,wU:10.20,wD:4.7,1.0,(26.16,4.03,;24.81,3.24,;23.48,4,;22.15,3.23,;22.17,1.71,;23.49,.94,;24.81,1.71,;20.85,.94,;19.51,1.7,;19.5,3.24,;18.18,.93,;18.18,-.62,;16.85,-1.39,;15.52,-.62,;14.19,-1.4,;14.19,-2.94,;12.86,-3.71,;15.54,-3.71,;16.87,-2.93,;16.84,1.69,;16.84,3.23,;18.16,4.01,;15.5,4,;14.17,3.22,;12.83,3.98,;11.5,3.21,;11.5,1.67,;10.17,.9,;12.83,.9,;14.17,1.67,)| | ||
Structure |