| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
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| Ligand | BDBM50109816 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1510161 (CHEMBL3606532) |
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| IC50 | >10000±n/a nM |
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| Citation |  Noha, SM; Fischer, K; Koeberle, A; Garscha, U; Werz, O; Schuster, D Discovery of novel, non-acidic mPGES-1 inhibitors by virtual screening with a multistep protocol. Bioorg Med Chem23:4839-45 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Prostaglandin G/H synthase 2 |
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| Name: | Prostaglandin G/H synthase 2 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 69003.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI). |
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| Residue: | 604 |
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| Sequence: | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
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| BDBM50109816 |
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| n/a |
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| Name | BDBM50109816 |
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| Synonyms: | CHEMBL3604187 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H15ClN2O4S2 |
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| Mol. Mass. | 434.916 |
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| SMILES | CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O |
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| Structure | 
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