| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1/2 |
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| Ligand | BDBM50000540 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158167 (CHEMBL766130) |
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| IC50 | 1300±n/a nM |
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| Citation |  Wilkerson, W; DeLucca, I; Galbraith, W; Harris, R; Kerr, J Antiinflammatory -benzeneethanamines. III Bioorg Med Chem Lett3:711-716 (1993) 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: | Prostaglandin G/H synthase (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 158167 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Prostaglandin G/H synthase 1 |
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| Synonyms: | COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) |
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| Type: | Protein |
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| Mol. Mass.: | 68868.60 |
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| Organism: | Ovis aries (Sheep) |
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| Description: | n/a |
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| Residue: | 600 |
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| Sequence: | MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCT
RTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVR
SNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRR
FLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLER
QYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLML
YATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLK
FDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVE
ALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQE
LTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPIC
SPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
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| Component 2 |
| Name: | Prostaglandin G/H synthase 2 |
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| Synonyms: | COX2 | Cyclooxygenase-1 (COX-1) | Cyclooxygenase-2 (COX-2) | PGH2_SHEEP | PTGS2 | Prostaglandin G/H synthase (Cyclooxygenase-2) | Prostaglandin G/H synthase (cyclooxygenase) |
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| Type: | Protein |
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| Mol. Mass.: | 68976.98 |
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| Organism: | Ovis aries (Sheep) |
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| Description: | n/a |
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| Residue: | 603 |
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| Sequence: | MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLT
RIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYS
YKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTN
LMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQ
MINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDV
LKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQN
RIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVA
GRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALY
GDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVG
FKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERS
TEL
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| BDBM50000540 |
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| n/a |
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| Name | BDBM50000540 |
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| Synonyms: | 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine | 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine (BW-755C) | 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755 C) | 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755C) | 1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-3-pyrazolamine | BW-755C | CHEMBL274642 |
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| Type | Small organic molecule |
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| Emp. Form. | C10H10F3N3 |
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| Mol. Mass. | 229.2017 |
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| SMILES | NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1| |
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| Structure | 
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