Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50299342
Substrate
n/a
Meas. Tech.
ChEMBL_700575 (CHEMBL1648394)
Ki
5623.41±n/a nM
Citation
 Smethurst, CA; Borthwick, JA; Gaines, S; Watson, S; Green, A; Schulz, MJ; Burton, G; Buson, AA; Arban, R The characterization of a novel V1b antagonist lead series. Bioorg Med Chem Lett 21:92-6 (2010) [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:
BDBM50299342
Synonyms:
CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(cyclohexylmethyl)-1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)piperidin-4-amine
Type:
Small organic molecule
Emp. Form.:
C31H45N3O6S2
Mol. Mass.:
619.836
SMILES:
COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Structure:
Search PDB for entries with ligand similarity: