Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50029614
Substrate
n/a
Meas. Tech.
ChEMBL_158939 (CHEMBL767827)
IC50
30000±n/a nM
Citation
 Janusz, JM; Young, PA; Ridgeway, JM; Scherz, MW; Enzweiler, K; Wu, LI; Gan, L; Darolia, R; Matthews, RS; Hennes, D; Kellstein, DE; Green, SA; Tulich, JL; Rosario-Jansen, T; Magrisso, IJ; Wehmeyer, KR; Kuhlenbeck, DL; Eichhold, TH; Dobson, RL; Sirko, SP; Farmer, RW New cyclooxygenase-2/5-lipoxygenase inhibitors. 1. 7-tert-buty1-2,3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: discovery and variation of the 5-keto substituent. J Med Chem 41:1112-23 (1998) [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:
BDBM50029614
Synonyms:
(SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4-methylsulfonylbenzene | 1-[2(4-Flurophenyl)-1-cyclopentyl]4-methylsulfonylbenzene | 1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4-methylsulfonylbenzene | 1-fluoro-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene | 1-fluoro-4-{2-[4-(methylsulfonyl)phenyl]cyclopent-1-en-1-yl}benzene | CHEMBL274893 | SC-57666
Type:
Small organic molecule
Emp. Form.:
C18H17FO2S
Mol. Mass.:
316.39
SMILES:
CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(F)cc1 |t:11|
Structure:
Search PDB for entries with ligand similarity: