Reaction Details  Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50546419
Substrate
n/a
Meas. Tech.
ChEMBL_2015644 (CHEMBL4669222)
IC50
500±n/a nM
Citation
 Bozó, É; Baska, F; Lövei, K; Szántó, G; Domány-Kovács, K; Kurkó, D; Szondiné Kordás, K; Szokoli, T; Bata, I New V1a receptor antagonist. Part 2. Identification and optimization of triazolobenzazepines. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article
Target
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:
MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
  
Inhibitor
Name:
BDBM50546419
Synonyms:
CHEMBL4790066
Type:
Small organic molecule
Emp. Form.:
C21H21ClN4O
Mol. Mass.:
380.871
SMILES:
Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2C3CC3c3cc(Cl)ccc3-n12 |r,wU:9.13,wD:6.6,(47.62,-42.58,;48.52,-43.82,;48.03,-45.28,;49.28,-46.19,;50.52,-45.29,;50.05,-43.83,;49.27,-47.73,;47.92,-48.5,;47.91,-50.04,;49.25,-50.82,;50.6,-50.06,;50.61,-48.51,;49.26,-52.38,;50.5,-53.28,;50.03,-54.75,;48.49,-54.75,;47.46,-55.9,;46.44,-57.05,;45.95,-55.59,;45.48,-54.12,;43.99,-53.81,;43.49,-52.36,;41.98,-52.06,;44.51,-51.21,;46.02,-51.52,;46.5,-52.97,;48,-53.28,)|
Structure:
Search PDB for entries with ligand similarity: