BDBM50168570 (R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-phenoxy]-propoxy}-2-ethyl-chroman-2-carboxylic acid::CHEMBL179657

SMILES: CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O

InChI Key: InChIKey=OZGIFXUDSUMYLU-AREMUKBSSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50168570   

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 alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50168570 ((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against human PPARalpha				Bioorg Med Chem Lett 15: 3347-51 (2005) Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50168570 ((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1	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	>1.50E+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 against human PPARgamma				Bioorg Med Chem Lett 15: 3347-51 (2005) Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50168570 ((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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 against human PPARdelta				Bioorg Med Chem Lett 15: 3347-51 (2005) Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50168570 ((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1	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	22	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity against human PPARalpha in COS-1 cell Gal4 assay				Bioorg Med Chem Lett 15: 3347-51 (2005) Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV
					More data for this Ligand-Target Pair