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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50151765
Substrate
n/a
Meas. Tech.
ChEMBL_306058 (CHEMBL833014)
IC50
33000±n/a nM
Citation
 Campbell, JA; Bordunov, V; Broka, CA; Browner, MF; Kress, JM; Mirzadegan, T; Ramesha, C; Sanpablo, BF; Stabler, R; Takahara, P; Villasenor, A; Walker, KA; Wang, JH; Welch, M; Weller, P Rational design of 6-methylsulfonylindoles as selective cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett 14:4741-5 (2004) [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:
BDBM50151765
Synonyms:
3-(2,4-Difluoro-phenoxy)-6-methanesulfonyl-2-methyl-1H-indole | CHEMBL359563
Type:
Small organic molecule
Emp. Form.:
C16H13F2NO3S
Mol. Mass.:
337.341
SMILES:
Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1F)S(C)(=O)=O
Structure:
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