null

SMILES: CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1

InChI Key: InChIKey=YJTYFVIOMCEYTG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50124394   

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 gamma (Homo sapiens (Human))	BDBM50124394 (2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...) Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	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 (Homo sapiens (Human))	BDBM50124394 (2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...) Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor				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 delta (Homo sapiens (Human))	BDBM50124394 (2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...) Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR delta receptor				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 gamma (Homo sapiens (Human))	BDBM50124394 (2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...) Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor				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 (Homo sapiens (Human))	BDBM50124394 (2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...) Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor				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 delta (Homo sapiens (Human))	BDBM50124394 (2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...) Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR delta receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair