Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50114040
Substrate
n/a
Meas. Tech.
ChEMBL_214412 (CHEMBL820276)
Ki
9.16±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:
BDBM50114040
Synonyms:
6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-1-(4-methyl-piperazin-1-yl)-hexan-1-one | CHEMBL86936
Type:
Small organic molecule
Emp. Form.:
C32H37N5O2
Mol. Mass.:
523.6685
SMILES:
CN1CCN(CC1)C(=O)CCCCCOc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1 |(17.72,4.65,;16.39,3.89,;16.5,2.35,;15.21,1.49,;13.84,2.17,;13.74,3.71,;15.01,4.57,;12.56,1.32,;12.65,-.22,;11.17,2,;9.89,1.16,;8.51,1.84,;7.22,.98,;5.84,1.67,;4.56,.82,;4.07,-.64,;5.1,-1.78,;4.61,-3.26,;3.11,-3.56,;2.09,-2.41,;2.58,-.96,;1.55,.19,;1.96,1.68,;3.34,2.38,;.66,2.52,;-.53,1.56,;.03,.11,;-.81,-1.18,;-2.36,-1.11,;-3.19,-2.39,;-2.49,-3.76,;-.96,-3.84,;-.12,-2.56,;-3.33,-5.06,;-2.63,-6.43,;-3.48,-7.72,;-5.02,-7.64,;-5.72,-6.25,;-4.88,-4.96,)|
Structure:
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