Reaction Details  Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50354907
Substrate
n/a
Meas. Tech.
ChEMBL_772742 (CHEMBL1837354)
IC50
199±n/a nM
Citation
 Johnson, PS; Ryckmans, T; Bryans, J; Beal, DM; Dack, KN; Feeder, N; Harrison, A; Lewis, M; Mason, HJ; Mills, J; Newman, J; Pasquinet, C; Rawson, DJ; Roberts, LR; Russell, R; Spark, D; Stobie, A; Underwood, TJ; Ward, R; Wheeler, S Discovery of PF-184563, a potent and selective V1a antagonist for the treatment of dysmenorrhoea. The influence of compound flexibility on microsomal stability. Bioorg Med Chem Lett 21:5684-7 (2011) [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:
BDBM50354907
Synonyms:
CHEMBL1837013
Type:
Small organic molecule
Emp. Form.:
C20H23N5
Mol. Mass.:
333.4301
SMILES:
Cc1nnc(C2CCN(CC2)c2ccccn2)n1-c1ccccc1C |(20.94,-16.85,;19.48,-16.37,;19,-14.91,;17.46,-14.91,;16.99,-16.37,;15.66,-17.15,;14.32,-16.39,;12.99,-17.17,;13.01,-18.71,;14.36,-19.47,;15.68,-18.69,;11.68,-19.49,;10.34,-18.73,;9.01,-19.52,;9.03,-21.06,;10.38,-21.82,;11.7,-21.03,;18.23,-17.27,;18.23,-18.81,;16.89,-19.58,;16.89,-21.12,;18.23,-21.89,;19.57,-21.12,;19.56,-19.58,;20.89,-18.8,)|
Structure:
Search PDB for entries with ligand similarity: