BDBM50168561 (R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phenoxy]-propoxy}-2-methyl-chroman-2-carboxylic acid::CHEMBL182200

SMILES: CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1

InChI Key: InChIKey=IHLBRRGBRGXQCC-MUUNZHRXSA-N

Data: 3 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 5 hits for monomerid = 50168561   

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))	BDBM50168561 ((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...) Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/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	1.00E+3	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))	BDBM50168561 ((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...) Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/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	6.40E+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 alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50168561 ((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...) Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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 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 delta (Homo sapiens (Human))	BDBM50168561 ((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...) Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 (Homo sapiens (Human))	BDBM50168561 ((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...) Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/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