Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50078650
Substrate
n/a
Meas. Tech.
ChEBML_214559
IC50
99±n/a nM
Citation
 Aranapakam, V; Albright, JD; Grosu, GT; Delos Santos, EG; Chan, PS; Coupet, J; Ru, X; Saunders, T; Mazandarani, H 5-fluoro-2-methyl-N-[5-(5H-pyrrolo[2,1-c][1,4]benzodiazepine-10(11H)-yl carbonyl)-2-pyridinyl]benzamide (CL-385004) and analogs as orally active arginine vasopressin receptor antagonists. Bioorg Med Chem Lett 9:1737-40 (1999) [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:
BDBM50078650
Synonyms:
CHEMBL51645 | N-[5-(3-Dimethylaminomethyl-5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-pyridin-2-yl]-5-fluoro-2-methyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C29H28FN5O2
Mol. Mass.:
497.5633
SMILES:
CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4cc(F)ccc4C)nc3)c3ccccc3Cn12
Structure:
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