Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50006448   

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 (Mus musculus)	BDBM50049239 (5-[1-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]...) Show SMILES CN(CCOc1ccc(C=C2SC(O)=NC2=O)cc1)c1nc2ccccc2o1 |w:9.8,c:13| Show InChI InChI=1S/C20H17N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,12H,10-11H2,1H3,(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)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/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50049241 (4-[4-(4-Chloro-phenoxy)-phenyl]-4-oxo-butyric acid...) Show SMILES OC(=O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO4/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)15(18)9-10-16(19)20/h1-8H,9-10H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activaion of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049242 (5-[1-{4-[2-(Methyl-pyridin-2-yl-amino)-ethoxy]-phe...) Show SMILES CN(CCOc1ccc(C=C2SC(O)=NC2=O)cc1)c1ccccn1 |w:9.8,c:13| Show InChI InChI=1S/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM28699 (2-(4-chlorophenoxy)-2-methylpropanoic acid | CHEMB...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049243 (5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazoli...) Show SMILES CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1 Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,20H,2-4,9-12H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049241 (4-[4-(4-Chloro-phenoxy)-phenyl]-4-oxo-butyric acid...) Show SMILES OC(=O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO4/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)15(18)9-10-16(19)20/h1-8H,9-10H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049246 (5-((R)-2-Benzyl-chroman-6-ylmethyl)-thiazolidine-2...) Show SMILES Oc1[nH]c(=O)sc1Cc1ccc2O[C@@H](Cc3ccccc3)CCc2c1 Show InChI InChI=1S/C20H19NO3S/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13/h1-6,9-10,16,22H,7-8,11-12H2,(H,21,23)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM28699 (2-(4-chlorophenoxy)-2-methylpropanoic acid | CHEMB...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activaion of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049245 (5-{4-[3-(Benzooxazol-2-yl-methyl-amino)-propoxy]-b...) Show SMILES CN(CCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C21H21N3O4S/c1-24(20-22-16-5-2-3-6-17(16)28-20)11-4-12-27-15-9-7-14(8-10-15)13-18-19(25)23-21(26)29-18/h2-3,5-10,25H,4,11-13H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049247 (5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES CN(CCOc1ccc(cc1)-c1sc(=O)[nH]c1O)c1nc2ccccc2o1 Show InChI InChI=1S/C19H17N3O4S/c1-22(18-20-14-4-2-3-5-15(14)26-18)10-11-25-13-8-6-12(7-9-13)16-17(23)21-19(24)27-16/h2-9,23H,10-11H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049244 (5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair