Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2
Ligand
BDBM50137422
Substrate
n/a
Meas. Tech.
ChEBML_159595
IC50
390±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]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
Cyclooxygenase-2 | Prostaglandin G/H synthase-2
Type:
PROTEIN
Mol. Mass.:
68982.35
Organism:
Canis familiaris
Description:
ChEMBL_344386
Residue:
604
Sequence:
MLARALVLCAALAVVRAANPCCSHPCQNQGICMSTGFDQYKCDCTRTGFYGENCSTPEFLTRIKLYLKPTPNTVHYILTHFKGVWNIVNNIPFLRNTIMKYVLTSRSHLIESPPTYNVNYGYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGKKELPDSKEIVEKFLLRRKFIPDPQGTNMMFAFFAQHFTHQFFKTDHKRGPAFTKGLGHGVDLNHVYGETLDRQHKLRLFKDGKMKYQVIDGEVYPPTVKDTQVEMIYPPHVPEHLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDTLQIDDQEYNFQQFIYNNSILLEHGLTQFVESFSRQIAGRVAGGRNVPAAVQQVAKASIDQSRQMKYQSLNEYRKRFRLKPYTSFEELTGEKEMAAGLEALYGDIDAMELYPALLVEKPRPDAIFGETMVEMGAPFSLKGLMGNPICSPDYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTAFSVQDGQLTKTVTINASSSHSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50137422
Synonyms:
2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine | CHEMBL367617
Type:
Small organic molecule
Emp. Form.:
C17H14F3N3O3S
Mol. Mass.:
397.372
SMILES:
COc1ccc(-c2cc(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)F)c(F)c1
Structure:
Search PDB for entries with ligand similarity: