Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50114041
Substrate
n/a
Meas. Tech.
ChEMBL_214412 (CHEMBL820276)
Ki
8.09±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:
BDBM50114041
Synonyms:
CHEMBL316093 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-3-methyl-phenoxymethyl]-phenyl}-(4-methyl-piperazin-1-yl)-methanone
Type:
Small organic molecule
Emp. Form.:
C35H35N5O2
Mol. Mass.:
557.6847
SMILES:
CN1CCN(CC1)C(=O)c1ccc(COc2cccc(C)c2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1 |(15.47,-14.61,;15.71,-13.11,;14.58,-12.06,;14.91,-10.56,;16.38,-10.1,;17.53,-11.13,;17.18,-12.65,;17.57,-9.12,;19.02,-9.65,;17.31,-7.6,;18.49,-6.6,;18.23,-5.09,;16.78,-4.56,;16.52,-3.04,;15.09,-2.51,;13.85,-3.42,;14.02,-4.94,;12.76,-5.85,;11.36,-5.22,;11.2,-3.7,;9.8,-3.07,;12.45,-2.79,;12.29,-1.27,;13.48,-.29,;15.01,-.52,;12.92,1.14,;11.38,1.05,;10.99,-.44,;9.56,-1,;9.33,-2.53,;7.9,-3.09,;6.69,-2.13,;6.92,-.61,;8.35,-.03,;5.26,-2.69,;4.05,-1.71,;2.62,-2.27,;2.38,-3.81,;3.58,-4.77,;5.02,-4.21,;15.59,-5.54,;15.86,-7.06,)|
Structure:
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