Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'dewitt' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM331829 ((S)-5-({p-[2-(5-Ethyl-2-pyridyl)ethoxy]phenyl}meth...) Show SMILES CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a
DeuteRx, LLC US Patent					Assay Description Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl}methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome prolifer...				US Patent US10188639 (2019) BindingDB Entry DOI: 10.7270/Q29025WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM331830 ((R)-5-({p-[2-(5-Ethyl-2-pyridyl)ethoxy]phenyl}meth...) Show SMILES CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
DeuteRx, LLC US Patent					Assay Description Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl}methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome prolifer...				US Patent US10188639 (2019) BindingDB Entry DOI: 10.7270/Q29025WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50103521 (Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...) Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a
DeuteRx, LLC US Patent					Assay Description Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl}methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome prolifer...				US Patent US10188639 (2019) BindingDB Entry DOI: 10.7270/Q29025WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM331830 ((R)-5-({p-[2-(5-Ethyl-2-pyridyl)ethoxy]phenyl}meth...) Show SMILES CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl} methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome prolife...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P2728K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50103521 (Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...) Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl} methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome prolife...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P2728K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM331829 ((S)-5-({p-[2-(5-Ethyl-2-pyridyl)ethoxy]phenyl}meth...) Show SMILES CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl} methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome prolife...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P2728K
					More data for this Ligand-Target Pair				3D Structure (crystal)