| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1/2 |
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| Ligand | BDBM50006816 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158133 (CHEMBL760765) |
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| IC50 | 44000±n/a nM |
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| Citation |  Musser, JH; Kreft, AF; Bender, RH; Kubrak, DM; Grimes, D; Carlson, RP; Hand, JM; Chang, J N-[(arylmethoxy)phenyl] carboxylic acids, hydroxamic acids, tetrazoles, and sulfonyl carboxamides. Potent orally active leukotriene D4 antagonists of novel structure. J Med Chem33:240-5 (1990) [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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| BDBM50006816 |
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| n/a |
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| Name | BDBM50006816 |
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| Synonyms: | (LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone | 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone | 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone ( LY-171883) | 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone(LY 171,883) | 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone(LY-171883) | 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone(LY171883) | 1-{2-Hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone | CHEMBL162358 | LY-171883 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H22N4O3 |
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| Mol. Mass. | 318.3709 |
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| SMILES | CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O |
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| Structure | 
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