Reaction Details |
| Report a problem with these data |
Target | Prostaglandin G/H synthase 1 |
---|
Ligand | BDBM50136107 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_158600 (CHEMBL769642) |
---|
IC50 | 20000±n/a nM |
---|
Citation | Khanapure, SP; Garvey, DS; Young, DV; Ezawa, M; Earl, RA; Gaston, RD; Fang, X; Murty, M; Martino, A; Shumway, M; Trocha, M; Marek, P; Tam, SW; Janero, DR; Letts, LG Synthesis and structure-activity relationship of novel, highly potent metharyl and methcycloalkyl cyclooxygenase-2 (COX-2) selective inhibitors. J Med Chem46:5484-504 (2003) [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
|
|
|
BDBM50136107 |
---|
n/a |
---|
Name | BDBM50136107 |
Synonyms: | (3-Fluoro-phenyl)-[6-(4-methanesulfonyl-phenyl)-benzo[1,3]dioxol-5-yl]-methanone | CHEMBL153767 |
Type | Small organic molecule |
Emp. Form. | C21H15FO5S |
Mol. Mass. | 398.404 |
SMILES | CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1C(=O)c1cccc(F)c1 |
Structure |
|