Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50114043
Substrate
n/a
Meas. Tech.
ChEMBL_214412 (CHEMBL820276)
Ki
9.06±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:
BDBM50114043
Synonyms:
3-Biphenyl-4-yl-4-[2-(6-imidazol-1-yl-hexyloxy)-phenyl]-5-methyl-4H-[1,2,4]triazole | CHEMBL89177
Type:
Small organic molecule
Emp. Form.:
C30H31N5O
Mol. Mass.:
477.6
SMILES:
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCn1ccnc1 |(8.16,-1.75,;6.79,-2.43,;5.49,-1.61,;4.3,-2.57,;4.86,-4.01,;4.02,-5.3,;2.47,-5.22,;1.64,-6.51,;2.34,-7.87,;3.86,-7.96,;4.71,-6.68,;1.5,-9.16,;2.2,-10.54,;1.35,-11.83,;-.19,-11.74,;-.88,-10.36,;-.04,-9.08,;6.39,-3.93,;7.4,-5.07,;6.91,-6.54,;7.93,-7.68,;9.43,-7.38,;9.92,-5.91,;8.89,-4.77,;9.38,-3.3,;10.75,-2.62,;12.03,-3.47,;13.41,-2.78,;14.69,-3.65,;16.08,-2.95,;17.36,-3.81,;18.73,-3.12,;18.98,-1.61,;20.51,-1.38,;21.18,-2.76,;20.09,-3.83,)|
Structure:
Search PDB for entries with ligand similarity: