Reaction Details  Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50272677
Substrate
n/a
Meas. Tech.
ChEMBL_510079 (CHEMBL997884)
IC50
480±n/a nM
Citation
 Bézière, N; Goossens, L; Pommery, J; Vezin, H; Touati, N; Hénichart, JP; Pommery, N New NSAIDs-NO hybrid molecules with antiproliferative properties on human prostatic cancer cell lines. Bioorg Med Chem Lett 18:4655-7 (2008) [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:
BDBM50272677
Synonyms:
2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid 2,3-bis-nitrooxy-propyl ester | CHEMBL497677
Type:
Small organic molecule
Emp. Form.:
C17H16N2O9S
Mol. Mass.:
424.382
SMILES:
CC(C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c1ccc(cc1)C(=O)c1cccs1
Structure:
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