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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50226641
Substrate
n/a
Meas. Tech.
ChEMBL_452249 (CHEMBL901401)
IC50
2600±n/a nM
Citation
 Wey, SJ; Augustyniak, ME; Cochran, ED; Ellis, JL; Fang, X; Garvey, DS; Janero, DR; Letts, LG; Martino, AM; Melim, TL; Murty, MG; Richardson, SK; Schroeder, JD; Selig, WM; Trocha, AM; Wexler, RS; Young, DV; Zemtseva, IS; Zifcak, BM Structure-based design, synthesis, and biological evaluation of indomethacin derivatives as cyclooxygenase-2 inhibiting nitric oxide donors. J Med Chem 50:6367-82 (2007) [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:
BDBM50226641
Synonyms:
CHEMBL399198 | N-[2,2-dimethyl-3-(nitrooxy)propyl]-2-{1-[(4-chlorophenyl)-carbonyl]-5-methoxy-2-methylindol-3-yl}acetamide
Type:
Small organic molecule
Emp. Form.:
C24H26ClN3O6
Mol. Mass.:
487.933
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCC(C)(C)CO[N+]([O-])=O)c2c1
Structure:
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