Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50516423
Substrate
n/a
Meas. Tech.
ChEMBL_1865145 (CHEMBL4366120)
IC50
4697±n/a nM
Citation
 Li, X; Zhang, Z; Chen, Y; Wan, H; Sun, J; Wang, B; Feng, B; Hu, B; Shi, X; Feng, J; Zhang, L; He, F; Bai, C; Zhang, L; Tao, W Discovery of SHR1653, a Highly Potent and Selective OTR Antagonist with Improved Blood-Brain Barrier Penetration. ACS Med Chem Lett 10:996-1001 (2019) [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:
BDBM50516423
Synonyms:
CHEMBL4580413
Type:
Small organic molecule
Emp. Form.:
C25H27ClFN5O3
Mol. Mass.:
499.965
SMILES:
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COC2CCOCC2)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
Structure:
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