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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50430955
Substrate
n/a
Meas. Tech.
ChEMBL_946398 (CHEMBL2339175)
IC50
>10000±n/a nM
Citation
 Anzini, M; Di Capua, A; Valenti, S; Brogi, S; Rovini, M; Giuliani, G; Cappelli, A; Vomero, S; Chiasserini, L; Sega, A; Poce, G; Giorgi, G; Calderone, V; Martelli, A; Testai, L; Sautebin, L; Rossi, A; Pace, S; Ghelardini, C; Di Cesare Mannelli, L; Benetti, V; Giordani, A; Anzellotti, P; Dovizio, M; Patrignani, P; Biava, M Novel analgesic/anti-inflammatory agents: 1,5-diarylpyrrole nitrooxyalkyl ethers and related compounds as cyclooxygenase-2 inhibiting nitric oxide donors. J Med Chem 56:3191-206 (2013) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
Cox-1 | Cox1 | Cyclooxygenase-1 | PGH synthase 1 | PGH1_MOUSE | PGHS-1 | PHS 1 | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 1 | Prostaglandin-endoperoxide synthase 1 | Ptgs1
Type:
PROTEIN
Mol. Mass.:
69044.61
Organism:
Mus musculus
Description:
ChEMBL_10575
Residue:
602
Sequence:
MSRRSLSLWFPLLLLLLLPPTPSVLLADPGVPSPVNPCCYYPCQNQGVCVRFGLDNYQCDCTRTGYSGPNCTIPEIWTWLRNSLRPSPSFTHFLLTHGYWLWEFVNATFIREVLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDVQLLAQQLLLRREFIPAPQGTNILFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYHLRLFKDGKLKYQVLDGEVYPPSVEQASVLMRYPPGVPPERQMAVGQEVFGLLPGLMLFSTIWLREHNRVCDLLKEEHPTWDDEQLFQTTRLILIGETIKIVIEEYVQHLSGYFLQLKFDPELLFRAQFQYRNRIAMEFNHLYHWHPLMPNSFQVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQRAGRIGGGRNFDYHVLHVAVDVIKESREMRLQPFNEYRKRFGLKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCQPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKPSTFGGDVGFNLVNTASLKKLVCLNTKTCPYVSFRVPDYPGDDGSVLVRRSTEL
  
Inhibitor
Name:
BDBM50430955
Synonyms:
CHEMBL2337406
Type:
Small organic molecule
Emp. Form.:
C23H25FN2O6S
Mol. Mass.:
476.518
SMILES:
Cc1c(CCOCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Structure:
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