BDBM50022309 3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine::4-butyl-1,2-diphenylpyrazolidine-3,5-dione::4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione::CHEMBL101::PHENYLBUTAZONE::Phenylbutazon
SMILES: CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
InChI Key: InChIKey=PKYKNPLSFOKASK-UHFFFAOYSA-N
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 |
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fMet-Leu-Phe receptor (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NZ862K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Curated by ChEMBL | Assay Description Binding affinity towards cytochrome P450 2C9 | J Med Chem 47: 907-14 (2004) Article DOI: 10.1021/jm030972s BindingDB Entry DOI: 10.7270/Q2ZK5HF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 8 (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells | J Pharmacol Exp Ther 302: 666-71 (2002) Article DOI: 10.1124/jpet.102.034330 BindingDB Entry DOI: 10.7270/Q2HH6MBN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-formyl peptide receptor 2 (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | >4.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-2 (Canis familiaris) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 3.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity of the compound against canine COX-2 | J Med Chem 44: 641-59 (2001) BindingDB Entry DOI: 10.7270/Q2J965NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (RAT) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of prostaglandin synthetase when administered perorally | J Med Chem 23: 734-8 (1980) BindingDB Entry DOI: 10.7270/Q28W3GHQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 2.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human | J Med Chem 38: 3895-901 (1995) BindingDB Entry DOI: 10.7270/Q28C9WX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 3.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine | J Med Chem 38: 3895-901 (1995) BindingDB Entry DOI: 10.7270/Q28C9WX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-4 (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H130FK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-formyl peptide receptor 2 (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | >6.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
fMet-Leu-Phe receptor (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J67FB5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of Prostaglandin G/H synthase 1 | Bioorg Med Chem Lett 6: 707-712 (1996) Article DOI: 10.1016/0960-894X(96)00097-2 BindingDB Entry DOI: 10.7270/Q2BV7H40 | |||||||||||
More data for this Ligand-Target Pair |