Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50240374
Substrate
n/a
Meas. Tech.
ChEMBL_583548 (CHEMBL1059063)
IC50
3900±n/a nM
Citation
 Husain, A; Ahmad, A; Alam, MM; Ajmal, M; Ahuja, P Fenbufen based 3-[5-(substituted aryl)-1,3,4-oxadiazol-2-yl]-1-(biphenyl-4-yl)propan-1-ones as safer antiinflammatory and analgesic agents. Eur J Med Chem 44:3798-804 (2009) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50240374
Synonyms:
3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phenylbenzoyl)propionic acid | 4-(4-biphenylyl)-4-oxobutyric acid | 4-[1,1'-biphenyl-4-yl]-4-oxobutanoic acid | 4-biphenyl-4-yl-4-oxobutanoic acid | CHEMBL277522 | Fenbufen | gamma-oxo(1,1'-biphenyl)-4-butanoic acid
Type:
Small organic molecule
Emp. Form.:
C16H14O3
Mol. Mass.:
254.2806
SMILES:
OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: