Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'macias-gonzalez' and Initial = 'm'   

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 alpha (Homo sapiens (Human))	BDBM50202579 (CHEMBL218794 | N-octadecylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h20H,2-18H2,1H3,(H2,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202580 (CHEMBL374076 | N-oleyl-N'-propylsulfamide) Show SMILES CCCCCCCCC\C=C/CCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H44N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h12-13,22-23H,3-11,14-21H2,1-2H3/b13-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202581 (CHEMBL218795 | N-hexadecylsulfamide) Show SMILES CCCCCCCCCCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C16H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(17,19)20/h18H,2-16H2,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202582 (CHEMBL374948 | N-oleylsulfamide) Show SMILES CCCCCCCCC\C=C/CCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h10-11,20H,2-9,12-18H2,1H3,(H2,19,21,22)/b11-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	524	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202583 (CHEMBL219156 | N-octadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202585 (CHEMBL387094 | N-hexadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C19H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21-24(22,23)20-18-4-2/h20-21H,3-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202584 (CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM29080 (CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair