Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM153287
Substrate
n/a
Meas. Tech.
Cyclooxygenase Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
7.22e+3± 2.77e+3 nM
Comments
extracted
Citation
 Bukhari, SN; Zhang, X; Jantan, I; Zhu, HL; Amjad, MW; Masand, VH Synthesis, Molecular Modeling, and Biological Evaluation of Novel 1, 3-Diphenyl-2-propen-1-one Based Pyrazolines as Anti-inflammatory Agents. Chem Biol Drug Des 85:729-42 (2015) [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:
BDBM153287
Synonyms:
3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl)-4,5-dihydro-pyrazole-1-carbothioic acid amide (2a)
Type:
Small organic molecule
Emp. Form.:
C24H21N3O3S
Mol. Mass.:
431.507
SMILES:
COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14|
Structure:
Search PDB for entries with ligand similarity: