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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50044060
Substrate
n/a
Meas. Tech.
ChEMBL_158733 (CHEMBL768740)
IC50
590±n/a nM
Citation
 Song, Y; Connor, DT; Doubleday, R; Sorenson, RJ; Sercel, AD; Unangst, PC; Roth, BD; 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. 1. Thiazolone and oxazolone series. J Med Chem 42:1151-60 (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:
BDBM50044060
Synonyms:
CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-eth-(Z)-ylidene]-4-oxo-4,5-dihydro-thiazol-2-yl}-guanidine
Type:
Small organic molecule
Emp. Form.:
C20H28N4O2S
Mol. Mass.:
388.527
SMILES:
[#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
Structure:
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