Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2 [E165G]
Ligand
BDBM173509
Substrate
n/a
Meas. Tech.
In vitro Cyclooxygenase (COX) Inhibition Assay
IC50
9.7e+2±n/a nM
Citation
 Abdellatif, KR; Elshemy, HA; Azoz, AA 1-(4-Methane(amino)sulfonylphenyl)-3-(4-substituted-phenyl)-5-(4-trifluoromethylphenyl)-1H-2-pyrazolines/pyrazoles as potential anti-inflammatory agents. Bioorg Chem 63:13-23 (2015) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2 [E165G]
Synonyms:
COX2 | Cyclooxygenase-2 (COX-2) | PGH2_HUMAN | PTGS2
Type:
Protein
Mol. Mass.:
68932.84
Organism:
Homo sapiens (Human)
Description:
P35354[E165G]
Residue:
604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVGKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM173509
Synonyms:
3-(4-Ethoxyphenyl)-1-(4-methanesulfonylphenyl)-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazole (14d)
Type:
Small organic molecule
Emp. Form.:
C25H23F3N2O3S
Mol. Mass.:
488.522
SMILES:
CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |t:10|
Structure:
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