Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50286821
Substrate
n/a
Meas. Tech.
ChEBML_51696
IC50
110±n/a nM
Citation
 Naka, Y; Yamada, I; Ochi, H; Matsuura, M; Nagamatsu, Y; Oe, T Structural optimization of alkyl-substituted 2-(7-5H-[1]benzopyrano[2,3-b]pyridyl)propionic acid as anti-inflammatory agents Bioorg Med Chem Lett 5:959-962 (1995)    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:
BDBM50286821
Synonyms:
2-(2-Ethyl-10H-9-oxa-1-aza-anthracen-6-yl)-propionic acid | CHEMBL175027
Type:
Small organic molecule
Emp. Form.:
C17H17NO3
Mol. Mass.:
283.3218
SMILES:
CCc1ccc2Cc3cc(ccc3Oc2n1)C(C)C(O)=O
Structure:
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