Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50105285
Substrate
n/a
Meas. Tech.
ChEBML_159271
IC50
19900±n/a nM
Citation
 Feixas, J; Jiménez, JM; Godessart, N; Puig, C; Soca, L; Crespo, MI Naphthalene derivatives: A new series of selective cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett 11:2687-90 (2001) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
Cox-1 | Cox1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_RAT | Prostaglandin G/H synthase (cyclooxygenase) | Ptgs1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
69033.56
Organism:
RAT
Description:
COX-1 0 RAT::Q63921
Residue:
602
Sequence:
MSRRSLSLQFPLLLLLLLLPPPPVLLTDAGVPSPVNPCCYYPCQNQGVCVRFGLDHYQCDCTRTGYSGPNCTIPEIWTWLRSSLRPSPSFTHFLLTHGYWIWEFVNATFIREVLMRLVITVRSNLIPSPPTYNTAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDIHLLAQRLLLRREFIPGPQGTNVLFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDSLERQYHLRLFKDGKLKYQVLDGEVYPPSVEQASVLMRYPPGVPPEKQMAVGQEVFGLLPGLMLFSTIWLREHNRVCDLLKEEHPTWDDEQLFQTTRLILIGETIKIIIEEYVQHLSGYFLQLKFDPELLFRAQFQYRNRIALEFNHLYHWHPLMPDSFQVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQRAGRIGGGRNFDYHVLHVAEDVIKESREMRLQSFNEYRKRFGLKPYTSFQEFTGEKEMAAELEELYGDIDALEFYPGLMLEKCQPNSLFGESMIEMGAPFSLKGLLGNPICSPEYWKPSTFGGDVGFNIVNTASLKKLVCLNTKTCPYVSFRVPDYPGDDGSVFVRPSTEL
  
Inhibitor
Name:
BDBM50105285
Synonyms:
2-[4-(4-Chloro-benzyl)-7-methylsulfanyl-naphthalen-1-yl]-propionic acid | CHEMBL90603
Type:
Small organic molecule
Emp. Form.:
C21H19ClO2S
Mol. Mass.:
370.892
SMILES:
CSc1ccc2c(Cc3ccc(Cl)cc3)ccc(C(C)C(O)=O)c2c1
Structure:
Search PDB for entries with ligand similarity: