Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50226638
Substrate
n/a
Meas. Tech.
ChEMBL_452249 (CHEMBL901401)
IC50
3000±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:
Human
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50226638
Synonyms:
CHEMBL237022 | N-(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}ethyl){[3-(nitrooxy)propyl]amino}carboxamide
Type:
Small organic molecule
Emp. Form.:
C23H25ClN4O6
Mol. Mass.:
488.921
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNC(=O)NCCCO[N+]([O-])=O)c2c1
Structure:
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