| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1/2 |
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| Ligand | BDBM50076662 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_51500 (CHEMBL665835) |
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| IC50 | 140±n/a nM |
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| Citation |  Connolly, PJ; Wetter, SK; Beers, KN; Hamel, SC; Chen, RH; Wachter, MP; Ansell, J; Singer, MM; Steber, M; Ritchie, DM; Argentieri, DC N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Bioorg Med Chem Lett9:979-84 (1999) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Prostaglandin G/H synthase 1/2 |
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| Name: | Prostaglandin G/H synthase 1/2 |
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| Synonyms: | Cyclooxygenase |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1666355 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Prostaglandin G/H synthase 2 |
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| Synonyms: | Cox-2 | Cox2 | Cyclooxygenase | PGH2_RAT | Ptgs2 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 69173.51 |
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| Organism: | RAT |
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| Description: | COX-2 0 RAT::P35355 |
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| Residue: | 604 |
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| Sequence: | MLFRAVLLCAALALSHAANPCCSNPCQNRGECMSIGFDQYKCDCTRTGFYGENCTTPEFL
TRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRNSIMRYVLTSRSHLIDSPPTYNVHY
GYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGT
NMMFAFFAQHFTHQFFKTDQKRGPGFTRGLGHGVDLNHVYGETLDRQHKLRLFQDGKLKY
QVIGGEVYPPTVKDTQVDMIYPPHVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
ILKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIASEFNTLYHWHPLLPDTFNIEDQEYTFKQFLYNNSILLEHGLAHFVESFTRQIAGRV
AGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKAL
YHDIDAMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEV
GFRIINTASIQSLICNNVKGCPFASFNVQDPQPTKTATINASASHSRLDDINPTVLIKRR
STEL
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| Component 2 |
| Name: | Prostaglandin G/H synthase 1 |
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| Synonyms: | Cox-1 | Cox1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_RAT | Prostaglandin G/H synthase (cyclooxygenase) | Ptgs1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 69033.56 |
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| Organism: | RAT |
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| Description: | COX-1 0 RAT::Q63921 |
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| Residue: | 602 |
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| Sequence: | MSRRSLSLQFPLLLLLLLLPPPPVLLTDAGVPSPVNPCCYYPCQNQGVCVRFGLDHYQCD
CTRTGYSGPNCTIPEIWTWLRSSLRPSPSFTHFLLTHGYWIWEFVNATFIREVLMRLVIT
VRSNLIPSPPTYNTAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDIHLLA
QRLLLRREFIPGPQGTNVLFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDSL
ERQYHLRLFKDGKLKYQVLDGEVYPPSVEQASVLMRYPPGVPPEKQMAVGQEVFGLLPGL
MLFSTIWLREHNRVCDLLKEEHPTWDDEQLFQTTRLILIGETIKIIIEEYVQHLSGYFLQ
LKFDPELLFRAQFQYRNRIALEFNHLYHWHPLMPDSFQVGSQEYSYEQFLFNTSMLVDYG
VEALVDAFSRQRAGRIGGGRNFDYHVLHVAEDVIKESREMRLQSFNEYRKRFGLKPYTSF
QEFTGEKEMAAELEELYGDIDALEFYPGLMLEKCQPNSLFGESMIEMGAPFSLKGLLGNP
ICSPEYWKPSTFGGDVGFNIVNTASLKKLVCLNTKTCPYVSFRVPDYPGDDGSVFVRPST
EL
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| BDBM50076662 |
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| n/a |
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| Name | BDBM50076662 |
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| Synonyms: | CHEMBL174684 | methyl 1-methyl-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-ynyl(hydroxy)carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23N3O4 |
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| Mol. Mass. | 405.4464 |
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| SMILES | COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1 |
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| Structure | 
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