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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50137428
Substrate
n/a
Meas. Tech.
ChEBML_158583
IC50
900±n/a nM
Citation
 Li, J; DeMello, KM; Cheng, H; Sakya, SM; Bronk, BS; Rafka, RJ; Jaynes, BH; Ziegler, CB; Kilroy, C; Mann, DW; Nimz, EL; Lynch, MP; Haven, ML; Kolosko, NL; Minich, ML; Li, C; Dutra, JK; Rast, B; Crosson, RM; Morton, BJ; Kirk, GW; Callaghan, KM; Koss, DA; Shavnya, A; Lund, LA; Seibel, SB; Petras, CF; Silvia, A Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine. Bioorg Med Chem Lett 14:95-8 (2003) [PubMed]
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | PGH synthase 1 | PGH1_CANLF | PGHS-1 | PHS 1 | PTGS1 | Prostaglandin G/H synthase 1 | Prostaglandin H2 synthase 1 | Prostaglandin-endoperoxide synthase 1
Type:
PROTEIN
Mol. Mass.:
69314.28
Organism:
Canis familiaris
Description:
ChEMBL_327426
Residue:
603
Sequence:
MSRGSRLHRWPLLLLLLLLLPPPPVLPAEARTPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPELWTWLRNSLRPSPSFLHFLLTHGRWFWEFINATFIRDMLMRLVLTARSNLIPSPPTYNIAHDYISWESFSNVSYYTRVLPSVPQDCPTPMGTKGKKQLPDAQLLGRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLDRQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGILPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFSAQFQYRNRIAMEFNQLYHWHPLMPDSFWVGSQEYSYEQFLFNTSMLTHYGIEALVDAFSRQSAGRIGGGRNIDHHVLHVAVETIKESRELRLQPFNEYRKRFGMRPYMSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEMGFNMVKTATLKKLVCLNTKTCPYVSFRVPDPHQDGGPGVERPSTEL
  
Inhibitor
Name:
BDBM50137428
Synonyms:
2-[3-Difluoromethyl-5-(4-methylsulfanyl-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine | CHEMBL366726
Type:
Small organic molecule
Emp. Form.:
C17H15F2N3O2S2
Mol. Mass.:
395.447
SMILES:
CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Structure:
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