Reaction Details  Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50322460
Substrate
n/a
Meas. Tech.
ChEMBL_764612 (CHEMBL1821164)
IC50
13400±n/a nM
Citation
 Hieke, M; Ness, J; Steri, R; Greiner, C; Werz, O; Schubert-Zsilavecz, M; Weggen, S; Zettl, H SAR studies of acidic dual¿-secretase/PPAR¿ modulators. Bioorg Med Chem 19:5372-82 (2011) [PubMed]  Article
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50322460
Synonyms:
2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)hexanoic acid | CHEMBL1171834
Type:
Small organic molecule
Emp. Form.:
C26H42N2O4S
Mol. Mass.:
478.688
SMILES:
CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: