BDBM50176554 5-((1,3-dioxolan-2-yl)methylamino)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile::CHEMBL199991
SMILES: CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1OCCO1)C(F)(F)F
InChI Key: InChIKey=HAJMCNFBWNOTTB-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase-2 (Canis familiaris) | BDBM50176554 (5-((1,3-dioxolan-2-yl)methylamino)-1-(5-(methylsul...) | PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL | Assay Description Inhibitory activity against COX2 in canine whole blood | Bioorg Med Chem Lett 16: 288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.10.006 BindingDB Entry DOI: 10.7270/Q2NZ876S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (Canis familiaris) | BDBM50176554 (5-((1,3-dioxolan-2-yl)methylamino)-1-(5-(methylsul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL | Assay Description Inhibitory activity against COX1 in canine whole blood | Bioorg Med Chem Lett 16: 288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.10.006 BindingDB Entry DOI: 10.7270/Q2NZ876S | |||||||||||
More data for this Ligand-Target Pair |