BindingDB PrimarySearch

BDBM50126020 CHEMBL25710::{3-Chloro-4-[3-(3-hydroxy-4-propionyl-2-propyl-phenoxy)-propylsulfanyl]-phenyl}-acetic acid

SMILES: CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC

InChI Key: InChIKey=MMUPKVYIRSGJIV-UHFFFAOYSA-N

Data: 7 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50126020
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))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	70	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transcriptional activation by human PPAR gamma				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))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	260	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 delta (Homo sapiens (Human))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	20	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 delta 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))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	300	n/a	n/a	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))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	300	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 delta (Homo sapiens (Human))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transcriptional activation by human PPAR gamma				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))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	300	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))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	600	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))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	20	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 (Homo sapiens (Human))	BDBM50126020 (CHEMBL25710 \| {3-Chloro-4-[3-(3-hydroxy-4-propiony...) 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	600	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