Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50000829
Substrate
n/a
Meas. Tech.
ChEMBL_429561 (CHEMBL919559)
IC50
>100000±n/a nM
Citation
 Pommery, N; Taverne, T; Telliez, A; Goossens, L; Charlier, C; Pommery, J; Goossens, JF; Houssin, R; Durant, F; Hénichart, JP New COX-2/5-LOX inhibitors: apoptosis-inducing agents potentially useful in prostate cancer chemotherapy. J Med Chem 47:6195-206 (2004) [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:
BDBM50000829
Synonyms:
6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-methylquinolin-2(1H)-one | 6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-1-methyl-1H-quinolin-2-one | 6-[3-Fluoro-5-(tetrahydro-pyran-4-yl)-phenoxymethyl]-1-methyl-1H-quinolin-2-one | CHEMBL20403 | ZD-2138
Type:
Small organic molecule
Emp. Form.:
C23H24FNO4
Mol. Mass.:
397.4394
SMILES:
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Structure:
Search PDB for entries with ligand similarity: