| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1 |
|---|
| Ligand | BDBM50044072 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_159275 (CHEMBL764259) |
|---|
| IC50 | 6.1±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 Chem42:1151-60 (1999) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Prostaglandin G/H synthase 1 |
|---|
| 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: | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
|
|
|
|---|
| BDBM50044072 |
|---|
| n/a |
|---|
| Name | BDBM50044072 |
|---|
| Synonyms: | CHEMBL16434 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-4-oxo-4,5-dihydro-thiazol-2-yl]-guanidine | N-{5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-4-oxo-4,5-dihydro-thiazol-2-yl}-guanidine |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H26N4O2S |
|---|
| Mol. Mass. | 374.5 |
|---|
| SMILES | CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14| |
|---|
| Structure | 
|
|---|
Search and Browse
