Target
Prostaglandin G/H synthase 1
Ligand
BDBM50049621
Substrate
n/a
Meas. Tech.
ChEMBL_158742 (CHEMBL768749)
IC50
>100000±n/a nM
Citation
 Li, JJNorton, MBReinhard, EJAnderson, GDGregory, SAIsakson, PCKoboldt, CMMasferrer, JLPerkins, WESeibert, KZhang, YZweifel, BSReitz, DB Novel terphenyls as selective cyclooxygenase-2 inhibitors and orally active anti-inflammatory agents. J Med Chem 39:1846-56 (1996) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Enzyme
Mol. Mass.:
68692.62
Organism:
Homo sapiens (Human)
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50049621
Synonyms:
3,5-Dichloro-4',5'-difluoro-4-methoxy-[1,1';2',1'']terphenyl-4''-sulfonic acid amide | CHEMBL300597
Type:
Small organic molecule
Emp. Form.:
C19H13Cl2F2NO3S
Mol. Mass.:
444.279
SMILES:
COc1c(Cl)cc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: