Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM521137
Substrate
n/a
Meas. Tech.
Cellular In Vitro Assay for Determining Vasopressin Receptor Activity
IC50
3.40±n/a nM
Citation
 Collin-Kroepelin, M; Kolkhof, P; Neubauer, T; Fuerstner, C; Pook, E; Wittwer, MB; Schirmer, H; Tinel, H Substituted triazole derivatives and uses thereof US Patent  US11149023 Publication Date 10/19/2021 
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:
BDBM521137
Synonyms:
N-{3-[3-(4-Chlorophenyl)-1-{[1-(3-chloropyridin-2-yl)-1H-1,2,4-triazol-3-yl]methyl}-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl}-3,4,4-trifluorobut-3-enamide (Racemate) | US11149023, Example 31
Type:
Small organic molecule
Emp. Form.:
C23H16Cl2F6N8O2
Mol. Mass.:
621.322
SMILES:
F\[#6](F)=[#6](/F)-[#6]-[#6](=O)-[#7]-[#6](-[#6]-n1c(nn(-[#6]-c2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Structure:
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