Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50361588
Substrate
n/a
Meas. Tech.
ChEMBL_799061 (CHEMBL1941920)
IC50
>10000±n/a nM
Citation
 Biava, M; Porretta, GC; Poce, G; Battilocchio, C; Alfonso, S; Rovini, M; Valenti, S; Giorgi, G; Calderone, V; Martelli, A; Testai, L; Sautebin, L; Rossi, A; Papa, G; Ghelardini, C; Di Cesare Mannelli, L; Giordani, A; Anzellotti, P; Bruno, A; Patrignani, P; Anzini, M Novel analgesic/anti-inflammatory agents: diarylpyrrole acetic esters endowed with nitric oxide releasing properties. J Med Chem 54:7759-71 (2011) [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:
BDBM50361588
Synonyms:
CHEMBL1939675
Type:
Small organic molecule
Emp. Form.:
C24H26N2O7S2
Mol. Mass.:
518.602
SMILES:
CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O
Structure:
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