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Target
Prostaglandin G/H synthase 2
Ligand
BDBM56150
Substrate
n/a
Meas. Tech.
ChEMBL_1556337 (CHEMBL3766396)
IC50
>100000±n/a nM
Citation
 Armstrong, MM; Freedman, CJ; Jung, JE; Zheng, Y; Kalyanaraman, C; Jacobson, MP; Simeonov, A; Maloney, DJ; van Leyen, K; Jadhav, A; Holman, TR A potent and selective inhibitor targeting human and murine 12/15-LOX. Bioorg Med Chem 24:1183-90 (2016) [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:
BDBM56150
Synonyms:
(6E)-4-methyl-6-[5-(2-methylphenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone | (6E)-4-methyl-6-[5-(2-methylphenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one | (6E)-4-methyl-6-[5-(o-tolyl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one | 4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol | MLS000099089 | SMR000070479 | cid_5405417
Type:
Small organic molecule
Emp. Form.:
C17H16N2O
Mol. Mass.:
264.3217
SMILES:
Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C
Structure:
Search PDB for entries with ligand similarity: