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Target
Prostaglandin E2 receptor EP1 subtype
Ligand
BDBM50419398
Substrate
n/a
Meas. Tech.
ChEMBL_785558 (CHEMBL1920205)
IC50
316.23±n/a nM
Citation
 Allan, AC; Billinton, A; Brown, SH; Chowdhury, A; Eatherton, AJ; Fieldhouse, C; Giblin, GM; Goldsmith, P; Hall, A; Hurst, DN; Naylor, A; Rawlings, DA; Sime, M; Scoccitti, T; Theobald, PJ Discovery of a novel series of nonacidic benzofuran EP1 receptor antagonists. Bioorg Med Chem Lett 21:4343-8 (2011) [PubMed]  Article 
Target
Name:
Prostaglandin E2 receptor EP1 subtype
Synonyms:
PE2R1_HUMAN | PGE receptor, EP1 subtype | PTGER1 | Prostaglandin E2 receptor | Prostaglandin E2 receptor EP1 subtype | Prostaglandin E2 receptor EP1 subtype (EP1) | Prostanoid EP1 receptor
Type:
Enzyme
Mol. Mass.:
41834.57
Organism:
Homo sapiens (Human)
Description:
P34995
Residue:
402
Sequence:
MSPCGPLNLSLAGEATTCAAPWVPNTSAVPPSGASPALPIFSMTLGAVSNLLALALLAQAAGRLRRRRSAATFLLFVASLLATDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTRPLLHAARVSVARARLALAAVAAVALAVALLPLARVGRYELQYPGTWCFIGLGPPGGWRQALLAGLFASLGLVALLAALVCNTLSGLALLRARWRRRSRRPPPASGPDSRRRWGAHGPRSASASSASSIASASTFFGGSRSSGSARRARAHDVEMVGQLVGIMVVSCICWSPMLVLVALAVGGWSSTSLQRPLFLAVRLASWNQILDPWVYILLRQAVLRQLLRLLPPRAGAKGGPAGLGLTPSAWEASSLRSSRHSGLSHF
  
Inhibitor
Name:
BDBM50419398
Synonyms:
CHEMBL1915248
Type:
Small organic molecule
Emp. Form.:
C24H30ClN3O3
Mol. Mass.:
443.966
SMILES:
CO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(C)n(Cc2cc(Cl)cc3cc(oc23)C(C)C)n1 |r,wU:5.8,wD:2.1,(11.23,-13.1,;10.32,-11.85,;8.79,-12.01,;7.88,-10.77,;6.34,-10.93,;5.73,-12.34,;6.64,-13.58,;8.16,-13.42,;4.2,-12.51,;3.29,-11.27,;3.91,-9.86,;1.76,-11.43,;1,-12.77,;-.51,-12.46,;-.51,-14,;-.68,-10.93,;-2.02,-10.16,;-3.35,-10.94,;-4.69,-10.17,;-6.01,-10.94,;-7.35,-10.17,;-6.02,-12.49,;-4.68,-13.26,;-4.37,-14.77,;-2.83,-14.93,;-2.2,-13.52,;-3.35,-12.49,;-2.06,-16.27,;-2.84,-17.6,;-.52,-16.27,;.73,-10.29,)|
Structure:
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