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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vasopressin V1a receptor | ||
| Ligand | BDBM50612387 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2286944 | ||
| Ki | 14±n/a nM | ||
| Citation |  Subbaiah, MAM; Meanwell, NA Bioisosteres of the Phenyl Ring: Recent Strategic Applications in Lead Optimization and Drug Design. J Med Chem64:14046-14128 (2021) [PubMed] | ||
| 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: |
| ||
| BDBM50612387 | |||
| n/a | |||
| Name | BDBM50612387 | ||
| Synonyms: | CHEMBL5283016 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H21ClN6O | ||
| Mol. Mass. | 384.863 | ||
| SMILES | Clc1cnc-2n1CCCc1nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n-21 |r,wU:13.13,wD:16.20,(.89,-4.68,;1.29,-3.19,;.26,-2.08,;1.03,-.72,;2.55,-1,;2.74,-2.55,;4.05,-3.36,;5.52,-2.83,;6.02,-1.37,;5.18,-.06,;5.8,1.31,;4.65,2.37,;3.31,1.6,;1.98,2.37,;.65,1.6,;-.69,2.37,;-.69,3.91,;.65,4.68,;1.98,3.91,;-2.02,4.68,;-3.35,3.91,;-4.68,4.68,;-6.02,3.91,;-6.02,2.37,;-4.68,1.6,;-3.35,2.37,;3.65,.11,)| | ||
| Structure | 
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