Reaction Details Report a problem with these data
Target
Vasopressin V1b receptor
Ligand
BDBM50345085
Substrate
n/a
Meas. Tech.
ChEMBL_748689 (CHEMBL1780542)
Ki
63±n/a nM
Citation
 Baker, J; Bingham, M; Blackburn-Munro, R; Cai, J; Craighead, M; Gilfillan, R; Goan, K; Jaap, D; Milne, R; Morphy, JR; Napier, S; Presland, J; Spinks, G; Thomson, F Identification and optimisation of novel sulfonamide, selective vasopressin V1B receptor antagonists. Bioorg Med Chem Lett 21:3603-7 (2011) [PubMed]  Article 
Target
Name:
Vasopressin V1b receptor
Synonyms:
AVPR V1b | AVPR V3 | AVPR1B | AVPR3 | Antidiuretic hormone receptor 1b | V1BR_HUMAN | V1bR | VASOPRESSIN V1B | VPR3 | Vasopressin V1b receptor | Vasopressin V1b receptor (V1b) | Vasopressin V3 | Vasopressin V3 receptor
Type:
Enzyme
Mol. Mass.:
46985.01
Organism:
Homo sapiens (Human)
Description:
P47901
Residue:
424
Sequence:
MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
  
Inhibitor
Name:
BDBM50345085
Synonyms:
(2S)-N-(3-(1-aminoisoquinolin-6-yl)-1-oxo-1-(piperidin-1-yl)propan-2-yl)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-3-phenylpropanamide | CHEMBL1779238
Type:
Small organic molecule
Emp. Form.:
C36H43N5O5S
Mol. Mass.:
657.822
SMILES:
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc2c(N)nccc2c1)C(=O)N1CCCCC1 |r|
Structure:
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