Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50117486
Substrate
n/a
Meas. Tech.
ChEMBL_1766337 (CHEMBL4201584)
Ki
819±n/a nM
Citation
 Frantz, MC; Pellissier, LP; Pflimlin, E; Loison, S; Gandía, J; Marsol, C; Durroux, T; Mouillac, B; Becker, JAJ; Le Merrer, J; Valencia, C; Villa, P; Bonnet, D; Hibert, M LIT-001, the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism. J Med Chem 61:8670-8692 (2018) [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:
BDBM50117486
Synonyms:
2-[(R)-1-(2-Chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl]-N-isopropyl-acetamide | 2-[1-(2-Chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl]-N-isopropyl-acetamide | CHEMBL332447
Type:
Small organic molecule
Emp. Form.:
C26H32ClN3O2
Mol. Mass.:
454.004
SMILES:
CC(C)NC(=O)C[C@H]1CCCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc12
Structure:
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