Reaction Details Report a problem with these data
Target
Vasopressin V1b receptor
Ligand
BDBM50397217
Substrate
n/a
Meas. Tech.
ChEMBL_864198 (CHEMBL2175250)
Ki
>10000±n/a nM
Citation
 Loison, S; Cottet, M; Orcel, H; Adihou, H; Rahmeh, R; Lamarque, L; Trinquet, E; Kellenberger, E; Hibert, M; Durroux, T; Mouillac, B; Bonnet, D Selective fluorescent nonpeptidic antagonists for vasopressin V2 GPCR: application to ligand screening and oligomerization assays. J Med Chem 55:8588-602 (2012) [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:
BDBM50397217
Synonyms:
CHEMBL2172293
Type:
Small organic molecule
Emp. Form.:
C67H78N10O13S2
Mol. Mass.:
1295.525
SMILES:
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC |(48.61,-15.81,;47.28,-16.58,;45.94,-15.82,;45.93,-14.27,;47.27,-13.49,;44.6,-16.59,;43.27,-15.83,;41.95,-16.6,;41.95,-18.12,;40.62,-18.89,;39.3,-18.1,;39.31,-16.56,;37.99,-15.78,;36.66,-16.53,;36.62,-18.07,;37.95,-18.86,;37.93,-20.4,;36.58,-21.15,;39.41,-20,;38.68,-21.73,;35.33,-15.74,;36.09,-14.4,;34.23,-14.64,;33.98,-16.49,;32.66,-15.71,;31.32,-16.46,;29.99,-15.67,;28.65,-16.42,;27.32,-15.64,;25.98,-16.39,;24.66,-15.61,;23.31,-16.36,;21.98,-15.57,;20.64,-16.32,;19.32,-15.53,;17.97,-16.29,;16.49,-15.84,;15.62,-17.1,;14.08,-17.11,;13.3,-15.79,;11.75,-15.81,;11,-17.15,;10.97,-14.49,;9.42,-14.5,;8.63,-13.18,;9.39,-11.82,;7.09,-13.19,;6.22,-14.46,;6.98,-15.8,;6.4,-17.22,;4.91,-17.67,;3.64,-16.8,;2.31,-17.56,;.97,-16.78,;2.3,-19.1,;.95,-19.86,;.94,-21.41,;2.28,-22.17,;2.27,-23.71,;3.6,-24.49,;4.93,-23.73,;3.59,-26.03,;2.24,-26.81,;2.23,-28.34,;3.57,-29.12,;4.91,-28.35,;4.91,-26.81,;6.25,-26.04,;3.61,-21.43,;3.63,-19.89,;3.55,-15.26,;2.07,-14.8,;1.74,-13.28,;2.87,-12.23,;4.35,-12.69,;4.69,-14.21,;16.54,-18.33,;18,-17.83,;40.63,-20.43,;39.3,-21.18,;39.29,-22.72,;40.62,-23.49,;41.94,-22.73,;41.95,-21.21,;43.28,-20.44,;43.28,-18.89,;44.61,-18.12,;40.62,-25.03,;41.95,-25.81,;41.94,-27.35,;39.27,-25.8,;39.27,-27.34,)|
Structure:
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