Reaction Details |
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Target | Prostaglandin G/H synthase 1/2 |
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Ligand | BDBM50022556 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_157968 (CHEMBL767498) |
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IC50 | 1800±n/a nM |
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Citation | Clemence, F; Le Martret, O; Delevallee, F; Benzoni, J; Jouanen, A; Jouquey, S; Mouren, M; Deraedt, R 4-Hydroxy-3-quinolinecarboxamides with antiarthritic and analgesic activities. J Med Chem31:1453-62 (1988) [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 |
Synonyms: | Cyclooxygenase |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1570295 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Prostaglandin G/H synthase 2 |
Synonyms: | COX2 | Cyclooxygenase | Cyclooxygenase-2 | PGH synthase 2 | PGH2_BOVIN | PGHS-2 | PHS II | PTGS2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 |
Type: | PROTEIN |
Mol. Mass.: | 69173.20 |
Organism: | Bos taurus |
Description: | ChEMBL_157990 |
Residue: | 604 |
Sequence: | MLARALLLCAAVALSGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFL
TRIKLLLKPTPNTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHY
SYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGT
NLMFAFFAQHFTHQFFKTDFERGPAFTKGKNHGVDLSHIYGESLERQHKLRLFKDGKMKY
QMINGEMYPPTVKDTQVEMIYPPHVPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGLTQFVESFTRQRAGRV
AGGRNLPVAVEKVSKASIDQSREMKYQSFNEYRKRFLVKPYESFEELTGEKEMAAELEAL
YGDIDAMEFYPALLVEKPRPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEV
GFKIINTASIQSLICSNVKGCPFTSFSVQDTHLTKTVTINASSSHSGLDDINPTVLLKER
STEL
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Component 2 |
Name: | Prostaglandin G/H synthase 1 |
Synonyms: | COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_BOVIN | PTGS1 |
Type: | PROTEIN |
Mol. Mass.: | 68814.10 |
Organism: | Bos taurus |
Description: | ChEMBL_547440 |
Residue: | 600 |
Sequence: | MSRQGISLRFPLLLLLLSPSPVLPADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCT
RTGYYGPNCTIPEIWTWLRTTLRPSPSFVHFLLTHGRWLWDFVNATFIRDKLMRLVLTVR
SNLIPSPPTYNVAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRR
FLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLER
QYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMV
YATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLK
FDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVE
ALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRELRLQPFNEYRKRFGMKPYTSFQE
LTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPIC
SPEYWKASTFGGDVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPHREDRPGVERPPTEL
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BDBM50022556 |
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n/a |
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Name | BDBM50022556 |
Synonyms: | 2-Dichloromethyl-4-hydroxy-8-trifluoromethyl-quinoline-3-carboxylic acid thiazol-2-ylamide | CHEMBL285278 |
Type | Small organic molecule |
Emp. Form. | C15H8Cl2F3N3O2S |
Mol. Mass. | 422.209 |
SMILES | Oc1c(C(=O)Nc2nccs2)c(nc2c(cccc12)C(F)(F)F)C(Cl)Cl |
Structure |
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