BDBM50176545 3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholino)-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile::3-(difluoromethyl)-5-((cis)-2,6-dimethylmorpholino)-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile::CHEMBL200812
SMILES: C[C@H]1CN(C[C@@H](C)O1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
InChI Key: InChIKey=GRLVSXKWMZHINP-PHIMTYICSA-N
Data: 5 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-1 (Canis familiaris) | BDBM50176545 (3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.38E+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 | |||||||||||||
Cyclooxygenase-2 (Canis familiaris) | BDBM50176545 (3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...) | PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 240 | 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-2 (Canis familiaris) | BDBM50176545 (3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...) | PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of COX2 by canine whole blood assay | Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (Canis familiaris) | BDBM50176545 (3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...) | 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 |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of COX1 by canine whole blood assay | Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50176545 (3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | 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 feline whole blood assay | 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 |