Target
Prostaglandin G/H synthase 1
Ligand
BDBM50207449
Substrate
n/a
Meas. Tech.
ChEMBL_461152 (CHEMBL944175)
IC50
>66000±n/a nM
Citation
 Blobaum, ALMarnett, LJ Structural and functional basis of cyclooxygenase inhibition. J Med Chem 50:1425-41 (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:
BDBM50207449
Synonyms:
2-(1-(4-bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)ethyl 4-chlorobenzoate | CHEMBL404107
Type:
Small organic molecule
Emp. Form.:
C26H23BrClNO3
Mol. Mass.:
512.823
SMILES:
COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CCOC(=O)c3ccc(Cl)cc3)c2c1
Structure:
Search PDB for entries with ligand similarity: