Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM521176
Substrate
n/a
Meas. Tech.
Cellular In Vitro Assay for Determining Vasopressin Receptor Activity
IC50
4.90±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:
BDBM521176
Synonyms:
N-{3-[3-(4-Chlorophenyl)-5-oxo-1-({1-[3-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-3-yl}methyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl}-4-fluoro-L-prolinamide hydrochloride (Diastereomeric Mixture) | US11149023, Example 71
Type:
Small organic molecule
Emp. Form.:
C25H21ClF7N9O2
Mol. Mass.:
647.935
SMILES:
F[C@@H]1CN[C@@H](C1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Structure:
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