Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50001302
Substrate
n/a
Meas. Tech.
ChEBML_211234
IC50
3300±n/a nM
Citation
 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Development of a novel class of cyclic hexapeptide oxytocin antagonists based on a natural product. J Med Chem 35:3905-18 (1992) [PubMed]  Article 
Target
Name:
Vasopressin V1a receptor
Synonyms:
Avpr1a | V1AR_RAT | VASOPRESSIN V1A | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
47674.81
Organism:
RAT
Description:
VASOPRESSIN V1A AVPR1A RAT::P30560
Residue:
424
Sequence:
MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
  
Inhibitor
Name:
BDBM50001302
Synonyms:
14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone | 14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR,11S,14R,16aS,22R,24aS)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone | CHEMBL52813
Type:
Small organic molecule
Emp. Form.:
C40H52N6O6
Mol. Mass.:
712.8775
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Structure:
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