BindingDB PrimarySearch

BDBM50126016 2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol-6-yloxy)propylthio)phenyl)acetic acid::CHEMBL279053::{3-Chloro-4-[3-(3-ethyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propylsulfanyl]-phenyl}-acetic acid

SMILES: CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12

InChI Key: InChIKey=LBEYMGDIPDOUKK-UHFFFAOYSA-N

Data: 7 IC50 6 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50126016
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 delta (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transcriptional activation by human PPAR delta				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human PPAR gamma in SPA				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	247	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transcriptional activation by human PPAR alpha				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human PPAR gamma in SPA				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human PPAR alpha in SPA				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human PPAR gamma in SPA				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...				J Med Chem 53: 77-105 (2010) Article DOI: 10.1021/jm9007399 BindingDB Entry DOI: 10.7270/Q28052RP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...				J Med Chem 53: 77-105 (2010) Article DOI: 10.1021/jm9007399 BindingDB Entry DOI: 10.7270/Q28052RP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Displacement of radio-labeled full agonist from PPARgamma receptor				Eur J Med Chem 46: 2513-29 (2011) Article DOI: 10.1016/j.ejmech.2011.03.040 BindingDB Entry DOI: 10.7270/Q2K35V05
Universiti Sains Malaysia Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARalpha				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARdelta				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50126016 (2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...				J Med Chem 53: 77-105 (2010) Article DOI: 10.1021/jm9007399 BindingDB Entry DOI: 10.7270/Q28052RP
					More data for this Ligand-Target Pair