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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50248699
Substrate
n/a
Meas. Tech.
ChEMBL_541847 (CHEMBL1015215)
IC50
13100±n/a nM
Citation
 Chowdhury, MA; Abdellatif, KR; Dong, Y; Das, D; Suresh, MR; Knaus, EE Synthesis of celecoxib analogues possessing a N-difluoromethyl-1,2-dihydropyrid-2-one 5-lipoxygenase pharmacophore: biological evaluation as dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity. J Med Chem 52:1525-9 (2009) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_BOVIN | PTGS1
Type:
PROTEIN
Mol. Mass.:
68814.10
Organism:
Bos taurus
Description:
ChEMBL_547440
Residue:
600
Sequence:
MSRQGISLRFPLLLLLLSPSPVLPADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYYGPNCTIPEIWTWLRTTLRPSPSFVHFLLTHGRWLWDFVNATFIRDKLMRLVLTVRSNLIPSPPTYNVAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMVYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRELRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGDVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPHREDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50248699
Synonyms:
1-(4-aminosulfonylphenyl)-5-[4-(1-difluoromethyl-1,2-dihydropyrid-2-one)]-3-trifluoromethyl-1H-pyrazole | CHEMBL516680
Type:
Small organic molecule
Emp. Form.:
C16H11F5N4O3S
Mol. Mass.:
434.341
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccn(C(F)F)c(=O)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: