Reaction Details | |||
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Target | Vasopressin V1a receptor | ||
Ligand | BDBM316354 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Binding Assay | ||
Ki | 55±n/a nM | ||
Citation | Braje, W; Froggett, J; Geneste, H; Hornberger, W; Jantos, K; Kling, A; van Gaalen, M Fused heterocyclic or carbocyclic compounds carrying a substituted cycloaliphatic radical and use thereof for treating vasopressin-related diseases US Patent US9617226 Publication Date 4/11/2017 | ||
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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BDBM316354 | |||
n/a | |||
Name | BDBM316354 | ||
Synonyms: | cis-2-[2-(3-Chlorophenyl)-6-[3-[(3-methoxyazetidin-1-yl)methyl]cyclobutyl]-4-oxo-quinazolin-3-yl]-N-isopropyl-acetamide | US9617226, Example 35 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H33ClN4O3 | ||
Mol. Mass. | 509.04 | ||
SMILES | COC1CN(C[C@H]2C[C@H](C2)c2ccc3nc(-c4cccc(Cl)c4)n(CC(=O)NC(C)C)c(=O)c3c2)C1 |r,wD:8.10,6.5,(12.56,-10.97,;11.22,-10.2,;11.22,-8.66,;12.31,-7.57,;11.22,-6.48,;11.22,-4.94,;9.89,-4.17,;9.49,-2.68,;8,-3.08,;8.4,-4.57,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;-1.33,-5.39,;-1.33,-6.93,;,-7.7,;-2.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;10.13,-7.57,)| | ||
Structure |