Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50074922
Substrate
n/a
Meas. Tech.
ChEMBL_1627355 (CHEMBL3869876)
IC50
1995±n/a nM
Citation
 Swiatek, P; Strzelecka, M; Urniaz, R; Gebczak, K; Gebarowski, T; Gasiorowski, K; Malinka, W Synthesis, COX-1/2 inhibition activities and molecular docking study of isothiazolopyridine derivatives. Bioorg Med Chem 25:316-326 (2017) [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:
BDBM50074922
Synonyms:
(+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid | 2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic acid | 2-(2-fluorobiphenyl-4-yl)propanoic acid | 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetic acid | 3-fluoro-4-phenylhydratropic acid | Ansaid | CHEMBL563 | FLURBIPROFEN | US9630914, Compound A
Type:
Small organic molecule
Emp. Form.:
C15H13FO2
Mol. Mass.:
244.2609
SMILES:
CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: