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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50164168
Substrate
n/a
Meas. Tech.
ChEMBL_484506 (CHEMBL1014032)
IC50
129000±n/a nM
Citation
 Huss, U; Ringbom, T; Perera, P; Bohlin, L; Vasänge, M Screening of ubiquitous plant constituents for COX-2 inhibition with a scintillation proximity based assay. J Nat Prod 65:1517-21 (2002) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | 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:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50164168
Synonyms:
1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene | 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene | 1-Hydroxy-2-methoxy-4-propenylbenzene | 1-allyl-3-methoxy-4-hydroxybenzene | 1-allyl-4-hydroxy-3-methoxybenzene | 2-Hydroxy-5-allylanisole | 2-Methoxy-1-hydroxy-4-allylbenzene | 2-Methoxy-4-allylphenol | 2-Methoxy-4-prop-2-enylphenol | 2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol | 4-Allyl-1-hydroxy-2-methoxybenzene | 4-Allylcatechol-2-methyl ether | 4-Allylguaiacol | 4-Hydroxy-3-methoxy-1-allylbenzene | Allylguaiacol | CHEMBL42710 | Caryophyllic acid | Eugenic acid | Eugenol | p-Allylguaiacol | p-Eugenol
Type:
Small organic molecule
Emp. Form.:
C10H12O2
Mol. Mass.:
164.2011
SMILES:
COc1cc(CC=C)ccc1O
Structure:
Search PDB for entries with ligand similarity: