BindingDB PrimarySearch

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

Data: 4 KI 8 IC50 1 EC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50022309
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine \| 4-b...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
NMMLSC Curated by PubChem BioAssay					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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
AstraZeneca R&D Curated by ChEMBL					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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
Kyorin University School of Medicine Curated by ChEMBL					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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Cyclooxygenase-2 (Canis familiaris)	BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine \| 4-b...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine \| 4-b...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine \| 4-b...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50022309 (3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine \| 4-b...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
NMMLSC Curated by PubChem BioAssay					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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
NMMLSC Curated by PubChem BioAssay					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...) Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O Show InChI	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair