BDBM50124368 3-{3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenyl}-propionic acid::CHEMBL177089

SMILES: CCCc1c(OCCCCOc2cccc(CCC(O)=O)c2)ccc2c(noc12)-c1ccccc1

InChI Key: InChIKey=DQINTDUSYVMMHS-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50124368   

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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50124368 (3-{3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCCOc2cccc(CCC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C29H31NO5/c1-2-9-24-26(16-15-25-28(30-35-29(24)25)22-11-4-3-5-12-22)34-19-7-6-18-33-23-13-8-10-21(20-23)14-17-27(31)32/h3-5,8,10-13,15-16,20H,2,6-7,9,14,17-19H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50124368 (3-{3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCCOc2cccc(CCC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C29H31NO5/c1-2-9-24-26(16-15-25-28(30-35-29(24)25)22-11-4-3-5-12-22)34-19-7-6-18-33-23-13-8-10-21(20-23)14-17-27(31)32/h3-5,8,10-13,15-16,20H,2,6-7,9,14,17-19H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50124368 (3-{3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...) Show SMILES CCCc1c(OCCCCOc2cccc(CCC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C29H31NO5/c1-2-9-24-26(16-15-25-28(30-35-29(24)25)22-11-4-3-5-12-22)34-19-7-6-18-33-23-13-8-10-21(20-23)14-17-27(31)32/h3-5,8,10-13,15-16,20H,2,6-7,9,14,17-19H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	329	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair