Reaction Details | |||
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Target | Vasopressin V1a receptor | ||
Ligand | BDBM50418910 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_758292 (CHEMBL1810823) | ||
Ki | 4.9±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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BDBM50418910 | |||
n/a | |||
Name | BDBM50418910 | ||
Synonyms: | CHEMBL1807271 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H35ClFN3O2 | ||
Mol. Mass. | 500.048 | ||
SMILES | CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(F)cc1 |r,wU:6.9,12.22,wD:3.2,(9.02,1.23,;7.67,2.01,;7.66,3.57,;6.32,1.22,;4.99,1.98,;3.67,1.21,;3.69,-.31,;5.01,-1.07,;6.33,-.31,;2.37,-1.09,;1.04,-.32,;1.03,1.21,;-.3,-1.1,;-.29,-2.64,;-1.62,-3.41,;-2.95,-2.64,;-4.28,-3.42,;-4.27,-4.96,;-5.61,-5.73,;-2.93,-5.72,;-1.6,-4.94,;-1.63,-.33,;-1.64,1.2,;-.31,1.98,;-2.97,1.97,;-1.88,3.08,;-2.98,4.18,;-4.08,3.07,;-4.3,1.19,;-5.64,1.96,;-6.97,1.19,;-6.97,-.35,;-8.3,-1.12,;-5.64,-1.12,;-4.3,-.35,)| | ||
Structure |