Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50045740   

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 delta (Homo sapiens (Human))	BDBM50383373 (CHEMBL592652 | GSK0660) Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Binding affinity to N-terminal hexa-histidine tagged and fluorescein-labeled human PPAR-beta/delta (164 to 441 residues) expressed in Escherichia col...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50415440 (CHEMBL598608 | GSK-3787) Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Antagonist activity against pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as inhibition of GW501516-i...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50079260 (CHEMBL3416764) Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Antagonist activity against pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as inhibition of GW501516-i...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28661 (2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Agonist activity at pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as receptor activation incubated fo...				Eur J Med Chem 94: 229-36 (2015) Article DOI: 10.1016/j.ejmech.2015.03.006 BindingDB Entry DOI: 10.7270/Q25H7HZR
					More data for this Ligand-Target Pair				3D Structure (crystal)