Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50225165
Substrate
n/a
Meas. Tech.
ChEMBL_458594 (CHEMBL942877)
IC50
95±n/a nM
Citation
Xiang, MA; Rybczynski, PJ; Patel, M; Chen, RH; McComsey, DF; Zhang, HC; Gunnet, JW; Look, R; Wang, Y; Minor, LK; Zhong, HM; Villani, FJ; Demarest, KT; Damiano, BP; Maryanoff, BE Next-generation spirobenzazepines: identification of RWJ-676070 as a balanced vasopressin V1a/V2 receptor antagonist for human clinical studies. Bioorg Med Chem Lett 17:6623-8 (2007) [PubMed] Article
More Info.:
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:
Human
Description:
P37288
Residue:
418
Sequence:
MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
Inhibitor
Name:
BDBM50225165
Synonyms:
2-chloro-5-fluoro-N-(4-{[(4R)-3'-(1H-imidazol-2-yl)-1,2,3,5-tetrahydrospiro[1-benzazepine-4,1'-cyclopentan]-2'-en-1-yl]carbonyl}-2-methoxyphenyl)benzamide | CHEMBL251561
Type:
Small organic molecule
Emp. Form.:
C32H28ClFN4O3
Mol. Mass.:
571.041
SMILES:
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)c2ncc[nH]2)Cc2ccccc12 |c:29|