BDBM50124390 CHEMBL175213::{2-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-acetic acid

SMILES: CCCc1c(OCCCOc2ccccc2CC(O)=O)ccc2c(noc12)-c1ccccc1

InChI Key: InChIKey=XJZKZXRCUUNPQX-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 = 50124390   

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))	BDBM50124390 (CHEMBL175213 | {2-[3-(3-Phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCOc2ccccc2CC(O)=O)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-9-21-24(15-14-22-26(28-33-27(21)22)19-10-4-3-5-11-19)32-17-8-16-31-23-13-7-6-12-20(23)18-25(29)30/h3-7,10-15H,2,8-9,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	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 alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50124390 (CHEMBL175213 | {2-[3-(3-Phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCOc2ccccc2CC(O)=O)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-9-21-24(15-14-22-26(28-33-27(21)22)19-10-4-3-5-11-19)32-17-8-16-31-23-13-7-6-12-20(23)18-25(29)30/h3-7,10-15H,2,8-9,16-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	489	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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50124390 (CHEMBL175213 | {2-[3-(3-Phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCOc2ccccc2CC(O)=O)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C27H27NO5/c1-2-9-21-24(15-14-22-26(28-33-27(21)22)19-10-4-3-5-11-19)32-17-8-16-31-23-13-7-6-12-20(23)18-25(29)30/h3-7,10-15H,2,8-9,16-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	498	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