Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50462392 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1774824 (CHEMBL4231816) |
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IC50 | >100000±n/a nM |
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Citation | Pippione, AC; Carnovale, IM; Bonanni, D; Sini, M; Goyal, P; Marini, E; Pors, K; Adinolfi, S; Zonari, D; Festuccia, C; Wahlgren, WY; Friemann, R; Bagnati, R; Boschi, D; Oliaro-Bosso, S; Lolli, ML Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem150:930-945 (2018) [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 |
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Name: | Prostaglandin G/H synthase 1 |
Synonyms: | COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) |
Type: | Protein |
Mol. Mass.: | 68868.60 |
Organism: | Ovis aries (Sheep) |
Description: | n/a |
Residue: | 600 |
Sequence: | MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCT
RTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVR
SNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRR
FLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLER
QYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLML
YATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLK
FDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVE
ALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQE
LTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPIC
SPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
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BDBM50462392 |
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n/a |
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Name | BDBM50462392 |
Synonyms: | CHEMBL4248154 |
Type | Small organic molecule |
Emp. Form. | C18H12F6N4O3 |
Mol. Mass. | 446.3033 |
SMILES | Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F |
Structure |
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