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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50075539
Substrate
n/a
Meas. Tech.
ChEMBL_158731 (CHEMBL878778)
IC50
1200±n/a nM
Citation
 Song, Y; Connor, DT; Sercel, AD; Sorenson, RJ; Doubleday, R; Unangst, PC; Roth, BD; Beylin, VG; Gilbertsen, RB; Chan, K; Schrier, DJ; Guglietta, A; Bornemeier, DA; Dyer, RD Synthesis, structure-activity relationships, and in vivo evaluations of substituted di-tert-butylphenols as a novel class of potent, selective, and orally active cyclooxygenase-2 inhibitors. 2. 1,3,4- and 1,2,4-thiadiazole series. J Med Chem 42:1161-9 (1999) [PubMed]  Article
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Enzyme
Mol. Mass.:
68692.62
Organism:
Homo sapiens (Human)
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50075539
Synonyms:
3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]thiadiazol-5-yl-cyanamide | CHEMBL1626563 | CHEMBL17229
Type:
Small organic molecule
Emp. Form.:
C17H22N4OS
Mol. Mass.:
330.448
SMILES:
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(NC#N)n1
Structure:
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