BDBM50057518 4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide::4-(5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide::CHEMBL29920
SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
InChI Key: InChIKey=MQPLMBSDWYIIID-UHFFFAOYSA-N
Data: 10 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 (COX-1) (Homo sapiens (Human)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development Curated by ChEMBL | Assay Description In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1) | J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Keio University Curated by ChEMBL | Assay Description Inhibition of purified ovine COX-1 by enzyme immunoassay | Bioorg Med Chem 22: 2529-34 (2014) Article DOI: 10.1016/j.bmc.2014.02.032 BindingDB Entry DOI: 10.7270/Q2K35W5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Keio University Curated by ChEMBL | Assay Description Inhibition of human recombinant COX-2 by enzyme immunoassay | Bioorg Med Chem 22: 2529-34 (2014) Article DOI: 10.1016/j.bmc.2014.02.032 BindingDB Entry DOI: 10.7270/Q2K35W5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development Curated by ChEMBL | Assay Description In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2) | J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as su... | J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 32.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2 Curated by ChEMBL | Assay Description Inhibition of human Prostaglandin G/H synthase 2 | J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) | J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) | J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as su... | J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees. | Bioorg Med Chem Lett 12: 267-70 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZJQ | |||||||||||
More data for this Ligand-Target Pair |