Reaction Details | |||
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Target | Vasopressin V1a receptor | ||
Ligand | BDBM316345 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Binding Assay | ||
Ki | <1±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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BDBM316345 | |||
n/a | |||
Name | BDBM316345 | ||
Synonyms: | cis-N-tert-Butyl-2-[2-(3-chlorophenyl)-4-oxo-6-[3-(1-piperidylmethyl)cyclobutyl]-quinazolin-3-yl]acetamide | US9617226, Example 26 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H37ClN4O2 | ||
Mol. Mass. | 521.093 | ||
SMILES | CC(C)(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1 |r,wD:19.20,21.23,(1.33,-8.47,;1.33,-6.93,;2.87,-6.93,;-.21,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;12.56,-4.17,;12.56,-2.63,;13.89,-1.86,;15.22,-2.63,;15.22,-4.17,;13.89,-4.94,;8.4,-4.57,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-1.33,-.77,)| | ||
Structure |