Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50114032
Substrate
n/a
Meas. Tech.
ChEMBL_214412 (CHEMBL820276)
Ki
3.03±n/a nM
Citation
 Kakefuda, A; Suzuki, T; Tobe, T; Tsukada, J; Tahara, A; Sakamoto, S; Tsukamoto, S Synthesis and pharmacological evaluation of 5-(4-biphenyl)-3-methyl-4-phenyl-1,2,4-triazole derivatives as a novel class of selective antagonists for the human vasopressin V(1A) receptor. J Med Chem 45:2589-98 (2002) [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:
BDBM50114032
Synonyms:
CHEMBL86577 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxymethyl]-phenyl}-(4-methyl-piperazin-1-yl)-methanone
Type:
Small organic molecule
Emp. Form.:
C34H33N5O2
Mol. Mass.:
543.6581
SMILES:
CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1 |(15.94,-10.56,;16.17,-9.05,;17.64,-8.58,;17.99,-7.08,;16.85,-6.05,;15.38,-6.5,;15.04,-8,;18.02,-5.05,;19.47,-5.59,;17.76,-3.54,;16.31,-3,;16.06,-1.48,;17.25,-.5,;16.99,1.02,;15.54,1.54,;14.3,.65,;14.47,-.89,;13.23,-1.8,;11.82,-1.17,;11.66,.37,;12.9,1.26,;12.74,2.8,;13.93,3.78,;15.46,3.54,;13.37,5.2,;11.84,5.11,;11.45,3.61,;10.02,3.05,;8.81,4.02,;7.38,3.45,;7.16,1.93,;8.35,.97,;9.79,1.53,;5.71,1.37,;5.47,-.16,;4.04,-.71,;2.83,.25,;3.08,1.79,;4.52,2.34,;18.69,-1.04,;18.95,-2.55,)|
Structure:
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