Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50001418
Substrate
n/a
Meas. Tech.
ChEBML_149059
IC50
1900±n/a nM
Citation
Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Orally active, nonpeptide oxytocin antagonists. J Med Chem 35:3919-27 (1992) [PubMed] Article
More Info.:
Target
Name:
Oxytocin receptor
Synonyms:
OT-R | OXYR_RAT | Otr | Oxtr | Oxytocin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42889.28
Organism:
RAT
Description:
Oxytocin OXTR RAT::P70536
Residue:
388
Sequence:
MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA
Inhibitor
Name:
BDBM50001418
Synonyms:
1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol | CHEMBL341274
Type:
Small organic molecule
Emp. Form.:
C23H30FNO3S
Mol. Mass.:
419.553
SMILES:
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)[C@@H](O)C2 |c:19|