BDBM50168559 (R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-chroman-2-carboxylic acid::CHEMBL435343

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

InChI Key: InChIKey=XQGNTLIKFAMDPP-OAQYLSRUSA-N

Data: 9 IC50  2 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 11 hits for monomerid = 50168559   

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))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity against human PPARgamma 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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	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))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	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 (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50168559 ((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...) Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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
					More data for this Ligand-Target Pair