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TargetCyclooxygenase
LigandBDBM22353
Substrate/CompetitorBDBM22319
Meas. Tech.COX Inhibitor Screening Assay
IC50 31500±n/a nM
Citation Rao, PNChen, QHKnaus, EE Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases. J Med Chem49:1668-83 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Cyclooxygenase
Name:Prostaglandin E synthase/G/H synthase 2
Synonyms:Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGHS-2 | PHS II | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:Enzyme
Mol. Mass.:69003.89
Organism:Homo sapiens (Human)
Description:Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM22353
NameBDBM22353
Synonyms:1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfonylphenyl)-1-(4-methoxyphenyl)prop-2-yn-1-one | CHEMBL371191
TypeSmall organic molecule
Emp. Form.C17H14O4S
Mol. Mass.314.356
SMILESCOc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Structure
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BDBM22319
NameBDBM22319
Synonyms:(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | Arachidonic acid | Arachidonic acid (AA) | CHEMBL15594 | [1-14C]Arachidonic acid
TypeUnsaturated fatty acid
Emp. Form.C20H32O2
Mol. Mass.304.4669
SMILESCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Structure
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