BindingDB PrimarySearch

BDBM50099491 2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)ethyl)phenylthio)-2-methylpropanoic acid::2-(4-{2-[3-Cyclohexyl-1-(4-cyclohexyl-butyl)-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid::CHEMBL21241::GW7647::cid_3392731

SMILES: CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O

InChI Key: InChIKey=PKNYXWMTHFMHKD-UHFFFAOYSA-N

Data: 1 KI 5 IC50 5 Kd 33 EC50 1 ITC

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50099491
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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sahmyook University Curated by ChEMBL					Assay Description Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARalpha LBD by TR-FRET assay				J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH
Sahmyook University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPARalpha LBD (unknown origin) assessed as induction of PGC1alpha co-activator activity by TR-FRET analysis				Bioorg Med Chem Lett 24: 2957-62 (2014) Article DOI: 10.1016/j.bmcl.2014.04.019 BindingDB Entry DOI: 10.7270/Q2FB54HC
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	9.64E+4	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to PPARalpha LBD (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 24: 2957-62 (2014) Article DOI: 10.1016/j.bmcl.2014.04.019 BindingDB Entry DOI: 10.7270/Q2FB54HC
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activation of murine PPAR alpha ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activation of murine PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Mus musculus)	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activation of murine PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.890	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 5265-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ
Phenex Pharmaceuticals AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...				Bioorg Med Chem Lett 25: 270-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.052 BindingDB Entry DOI: 10.7270/Q2S18434
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7.10	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by TR-FRET assay				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to human PPAR-alpha LBD assessed as recruitment of fluorescein-labeled coactivator peptide by surface plasmon resonance method				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay				Bioorg Med Chem Lett 24: 4048-52 (2014) Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of USP1 (unknown origin) assessed as reduction in K63-linked diUb cleavage by gel electrophoresis based orthogonal diUb cleavage assay				J Med Chem 58: 1581-95 (2015) Article DOI: 10.1021/jm501061a BindingDB Entry DOI: 10.7270/Q29025GH
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay				J Med Chem 58: 6639-52 (2015) BindingDB Entry DOI: 10.7270/Q29025KV
IQM-CSIC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Transactivation of human PPARalpha expressed in African green monkey COS7 cells incubated overnight by dual-glo luciferase reporter gene assay				J Med Chem 59: 61-81 (2016) BindingDB Entry DOI: 10.7270/Q2348N8D
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in HEK293 cells assessed as receptor transactivation at by luciferase reporter gene assay				J Med Chem 52: 6224-32 (2009) Article DOI: 10.1021/jm900878u BindingDB Entry DOI: 10.7270/Q2ZP465F
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Transactivation of human PPARalpha LBD expressed in african green monkey Cos7 cells co-transfected with fused GAL4-DBD after 14 hrs by Dual-Glo Lucif...				Bioorg Med Chem Lett 20: 2469-73 (2010) Article DOI: 10.1016/j.bmcl.2010.03.008 BindingDB Entry DOI: 10.7270/Q25B02MH
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					Assay Description Agonist activity at PPARalpha ligand binding domain expressed in HEK293 cells co-expressing GAL4 after 18 hrs by dual-luciferase activity based trans...				Bioorg Med Chem Lett 21: 4869-72 (2011) Article DOI: 10.1016/j.bmcl.2011.06.028 BindingDB Entry DOI: 10.7270/Q2DN45F9
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					Assay Description Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay				Eur J Med Chem 46: 5218-24 (2011) Article DOI: 10.1016/j.ejmech.2011.08.022 BindingDB Entry DOI: 10.7270/Q2348KRV
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Health Center Curated by ChEMBL					Assay Description Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate by qHTS assay				J Med Chem 59: 9321-9336 (2016) BindingDB Entry DOI: 10.7270/Q2ZC84TJ
University of Connecticut Health Center Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain chimeric receptor expressed in HEK293 cells after 24 hrs by luciferase reporter...				Bioorg Med Chem 24: 5258-5269 (2016) Article DOI: 10.1016/j.bmc.2016.08.045 BindingDB Entry DOI: 10.7270/Q2S46TXF
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope National Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay				Bioorg Med Chem 21: 4266-78 (2013) Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z
City of Hope National Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					Assay Description Transactivation of human GAL4-fused PPARalpha ligand binding domain transfected in HEK293 cells after 18 hrs by dual luciferase reporter gene assay				Bioorg Med Chem Lett 22: 7662-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.111 BindingDB Entry DOI: 10.7270/Q2639QW8
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
ZAFES/LiFF/OSF Goethe-University Frankfurt Curated by ChEMBL					Assay Description Transactivation of GAL4-fused human PPARalpha ligand binding domain transfected in african green monkey COS7 cells by luciferase reporter gene assay				J Med Chem 55: 10771-5 (2012) Article DOI: 10.1021/jm301194c BindingDB Entry DOI: 10.7270/Q28P61PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay				J Med Chem 55: 4978-89 (2012) Article DOI: 10.1021/jm300068n BindingDB Entry DOI: 10.7270/Q2ZP4769
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Activation of PPARalpha transfected in HEK293 cells after 18 hrs by firefly luciferase reporter gene-based luminescence assay relative to control				J Nat Prod 74: 1779-86 (2011) Article DOI: 10.1021/np200343t BindingDB Entry DOI: 10.7270/Q26974ND
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha LBD by cell based luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-DBD after 16 to 19 hrs by beta lactamase reporter gene assay				Bioorg Med Chem Lett 22: 6233-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.010 BindingDB Entry DOI: 10.7270/Q25M66SF
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha				J Med Chem 55: 4027-61 (2012) Article DOI: 10.1021/jm101360s BindingDB Entry DOI: 10.7270/Q2ST7QW1
Universit£ Lille-Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Universit£ G. d'Annunzio Curated by ChEMBL					Assay Description Transactivation of PPARalpha expressed in HEK293A cells co-expressing GAL4 after 16 to 18 hrs by luciferase reporter gene assay				Eur J Med Chem 58: 317-22 (2012) Article DOI: 10.1016/j.ejmech.2012.10.019 BindingDB Entry DOI: 10.7270/Q2CR5VG4
Universit£ G. d'Annunzio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				Bioorg Med Chem Lett 27: 3131-3134 (2017) Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARalpha-LBD expressed in human HepG2 cells after 18 hrs by luciferase reporter gene assay				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
Guangdong Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin)				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
Guangdong Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin) incubated for 3 to 16 hrs by pathhunter nuclear hormone receptor assay				ACS Med Chem Lett 10: 1068-1073 (2019) Article DOI: 10.1021/acsmedchemlett.9b00189
WuXi AppTec (Shanghai) Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Pre-mRNA-processing factor 19 (Saccharomyces cerevisiae S288c)	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
Polymer Functionalization Group (ICTP, CSIC) Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in human MCF7 cells coexpressing TIF2 by luciferase reporter gene assay				Bioorg Med Chem 16: 10098-105 (2008) Article DOI: 10.1016/j.bmc.2008.10.023 BindingDB Entry DOI: 10.7270/Q25T3P8F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at N-terminal Gal4 fused human PPARalpha LBD transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 24: 5455-5461 (2016) Article DOI: 10.1016/j.bmc.2016.08.067
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens huntingtin (HTT), mRNA (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2N58K09
					More data for this Ligand-Target Pair
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	8.0	37
Monash University					Assay Description ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000...				ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C
Monash University					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50099491
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-8.38	-2.56	-5.85	5.91	8	37
Monash University		GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		ACS Chem Biol 9: 2526-34 (2014)