Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM28700
Substrate
n/a
Meas. Tech.
ChEMBL_1584966 (CHEMBL3819990)
IC50
950000±n/a nM
Citation
 Ehrt, C; Brinkjost, T; Koch, O Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design. J Med Chem 59:4121-51 (2016) [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:
BDBM28700
Synonyms:
2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic acid | 2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoic acid | CHEMBL981 | FENOFIBRIC ACID | FIBRICOR | Fenofibrate | LF 153 | alpha-1081 | procetofenic acid
Type:
Small organic molecule
Emp. Form.:
C17H15ClO4
Mol. Mass.:
318.752
SMILES:
CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: