Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | B1 bradykinin receptor | ||
| Ligand | BDBM50381274 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_814368 (CHEMBL2019577) | ||
| Ki | 1±n/a nM | ||
| Citation |  Eles, J; Beke, G; Vágó, I; Bozó, E; Huszár, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domány, G; Keseru, GM Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonists. Bioorg Med Chem Lett22:3095-9 (2012) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| B1 bradykinin receptor | |||
| Name: | B1 bradykinin receptor | ||
| Synonyms: | B1 BRADYKININ | B1 bradykinin receptor | B1R | BDKRB1 | BK-1 receptor | BKRB1_HUMAN | BRADYB1 | Bradykinin B1 receptor | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 40508.87 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P46663 | ||
| Residue: | 353 | ||
| Sequence: |
| ||
| BDBM50381274 | |||
| n/a | |||
| Name | BDBM50381274 | ||
| Synonyms: | CHEMBL2018866 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H34Cl2N4O3S | ||
| Mol. Mass. | 577.566 | ||
| SMILES | Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)N[C@H]1CC[C@H](CCC2=NCCN2)CC1 |r,wU:25.27,wD:28.31,t:34,(-10.48,-5.02,;-9.15,-4.25,;-7.8,-5.01,;-6.48,-4.24,;-6.49,-2.7,;-7.82,-1.93,;-9.15,-2.71,;-10.49,-1.94,;-5.16,-1.93,;-3.68,-1.52,;-4.07,-3.02,;-5.16,-.39,;-6.5,.37,;-6.5,1.92,;-5.18,2.7,;-5.18,4.24,;-3.85,5.02,;-2.5,4.25,;-2.5,2.7,;-3.83,1.93,;-3.83,.39,;-2.49,-.38,;-1.16,.39,;-1.16,1.93,;.18,-.37,;1.51,.4,;1.49,1.94,;2.83,2.71,;4.17,1.94,;5.5,2.7,;6.83,1.93,;8.1,2.81,;8.14,4.36,;9.61,4.8,;10.49,3.54,;9.55,2.31,;4.16,.4,;2.84,-.37,)| | ||
| Structure | 
| ||