| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1/2 |
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| Ligand | BDBM50501712 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1666355 (CHEMBL4016151) |
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| IC50 | 4700±n/a nM |
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| Citation |  Cornec, AS; Monti, L; Kovalevich, J; Makani, V; James, MJ; Vijayendran, KG; Oukoloff, K; Yao, Y; Lee, VM; Trojanowski, JQ; Smith, AB; Brunden, KR; Ballatore, C Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases. J Med Chem60:5120-5145 (2017) [PubMed] Article |
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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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| BDBM50501712 |
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| n/a |
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| Name | BDBM50501712 |
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| Synonyms: | CHEMBL4090072 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H10ClF3N2 |
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| Mol. Mass. | 322.712 |
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| SMILES | Cc1ncn(c1-c1c(F)ccc(F)c1F)-c1ccc(Cl)cc1 |(15,-17.72,;14.09,-16.48,;12.58,-16.48,;12.08,-15.02,;13.32,-14.11,;14.57,-15,;16.03,-14.52,;17.18,-15.54,;16.86,-17.05,;18.64,-15.06,;18.95,-13.55,;17.79,-12.53,;18.1,-11.02,;16.34,-13.01,;15.18,-11.99,;13.31,-12.57,;14.63,-11.79,;14.62,-10.25,;13.28,-9.49,;13.27,-7.95,;11.95,-10.28,;11.97,-11.81,)| |
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| Structure | 
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