Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'florio' and Initial = 'r'   

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
Serine hydroxymethyltransferase, cytosolic (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic by spectrophotometry				Eur J Med Chem 46: 1616-21 (2011) Article DOI: 10.1016/j.ejmech.2011.02.009 BindingDB Entry DOI: 10.7270/Q22V2H35
					More data for this Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by slope intercepts of mixed-type inhibition against compound con...				Eur J Med Chem 46: 1616-21 (2011) Article DOI: 10.1016/j.ejmech.2011.02.009 BindingDB Entry DOI: 10.7270/Q22V2H35
					More data for this Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by Y-axes intercepts of mixed-type inhibition against ...				Eur J Med Chem 46: 1616-21 (2011) Article DOI: 10.1016/j.ejmech.2011.02.009 BindingDB Entry DOI: 10.7270/Q22V2H35
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540553 (CHEMBL4644726) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1 Show InChI InChI=1S/C31H31N3O5S/c1-23-9-19-29(20-10-23)40(36,37)34-30(35)31(2,3)39-28-15-11-24(12-16-28)21-22-38-27-17-13-26(14-18-27)33-32-25-7-5-4-6-8-25/h4-20H,21-22H2,1-3H3,(H,34,35)/b33-32+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540555 (CHEMBL4642691) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28ClN3O5S/c1-30(2,29(35)34-40(36,37)28-18-10-23(31)11-19-28)39-27-14-8-22(9-15-27)20-21-38-26-16-12-25(13-17-26)33-32-24-6-4-3-5-7-24/h3-19H,20-21H2,1-2H3,(H,34,35)/b33-32+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540566 (CHEMBL4636567) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H30N2O6S/c1-31(2,30(35)33-40(36,37)28-11-7-4-8-12-28)39-27-17-13-23(14-18-27)21-22-38-26-19-15-25(16-20-26)32-29(34)24-9-5-3-6-10-24/h3-20H,21-22H2,1-2H3,(H,32,34)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540554 (CHEMBL4636810) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1 Show InChI InChI=1S/C31H31N3O6S/c1-31(2,30(35)34-41(36,37)29-19-17-26(38-3)18-20-29)40-28-13-9-23(10-14-28)21-22-39-27-15-11-25(12-16-27)33-32-24-7-5-4-6-8-24/h4-20H,21-22H2,1-3H3,(H,34,35)/b33-32+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155330 (CHEMBL3781890) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H16ClNO4S/c1-16(2,22-13-10-8-12(17)9-11-13)15(19)18-23(20,21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155326 (CHEMBL3780463) Show SMILES CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H19ClN2O4S3/c1-3-4-17(28-19-21-15-11-12(20)5-10-16(15)27-19)18(23)22-29(24,25)14-8-6-13(26-2)7-9-14/h5-11,17H,3-4H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155332 (CHEMBL3781465) Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H25ClN2O5S/c1-25(2,24(30)28-34(31,32)22-6-4-3-5-7-22)33-21-14-8-18(9-15-21)16-17-27-23(29)19-10-12-20(26)13-11-19/h3-15H,16-17H2,1-2H3,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155329 (CHEMBL3779912) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1 Show InChI InChI=1S/C21H14ClN3O5S3/c22-14-6-11-18-17(12-14)23-21(31-18)32-19(13-4-2-1-3-5-13)20(26)24-33(29,30)16-9-7-15(8-10-16)25(27)28/h1-12,19H,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155324 (CHEMBL3780894) Show SMILES CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H16ClN3O5S3/c1-2-3-16(29-18-20-14-10-11(19)4-9-15(14)28-18)17(23)21-30(26,27)13-7-5-12(6-8-13)22(24)25/h4-10,16H,2-3H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540556 (CHEMBL4636520) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C30H28N4O7S/c1-30(2,29(35)33-42(38,39)28-18-12-25(13-19-28)34(36)37)41-27-14-8-22(9-15-27)20-21-40-26-16-10-24(11-17-26)32-31-23-6-4-3-5-7-23/h3-19H,20-21H2,1-2H3,(H,33,35)/b32-31+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540552 (CHEMBL4636990) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H29N3O5S/c1-30(2,29(34)33-39(35,36)28-11-7-4-8-12-28)38-27-17-13-23(14-18-27)21-22-37-26-19-15-25(16-20-26)32-31-24-9-5-3-6-10-24/h3-20H,21-22H2,1-2H3,(H,33,34)/b32-31+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540557 (CHEMBL4642679) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1 Show InChI InChI=1S/C32H32N4O6S/c1-23(37)33-25-13-19-30(20-14-25)43(39,40)36-31(38)32(2,3)42-29-15-9-24(10-16-29)21-22-41-28-17-11-27(12-18-28)35-34-26-7-5-4-6-8-26/h4-20H,21-22H2,1-3H3,(H,33,37)(H,36,38)/b35-34+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540571 (CHEMBL4632967) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)Nc3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H31N3O6S/c1-31(2,29(35)34-41(37,38)28-11-7-4-8-12-28)40-27-17-13-23(14-18-27)21-22-39-26-19-15-25(16-20-26)33-30(36)32-24-9-5-3-6-10-24/h3-20H,21-22H2,1-2H3,(H,34,35)(H2,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540568 (CHEMBL4634884) Show SMILES CCCCNC(=O)C(C)(C)Oc1ccc(CCOc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H35N3O4/c1-4-5-20-30-27(33)29(2,3)36-26-15-11-22(12-16-26)19-21-35-25-17-13-24(14-18-25)32-28(34)31-23-9-7-6-8-10-23/h6-18H,4-5,19-21H2,1-3H3,(H,30,33)(H2,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540561 (CHEMBL4643748) Show SMILES CCCCNC(=O)C(C)(C)Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1 Show InChI InChI=1S/C28H33N3O3/c1-4-5-20-29-27(32)28(2,3)34-26-15-11-22(12-16-26)19-21-33-25-17-13-24(14-18-25)31-30-23-9-7-6-8-10-23/h6-18H,4-5,19-21H2,1-3H3,(H,29,32)/b31-30+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540562 (CHEMBL4649566) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H31N3O3/c1-31(2,30(35)32-23-25-9-5-3-6-10-25)37-29-17-13-24(14-18-29)21-22-36-28-19-15-27(16-20-28)34-33-26-11-7-4-8-12-26/h3-20H,21-23H2,1-2H3,(H,32,35)/b34-33+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540558 (CHEMBL4641671) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C37H34N4O6S/c1-37(2,36(43)41-48(44,45)34-23-17-29(18-24-34)38-35(42)28-9-5-3-6-10-28)47-33-19-13-27(14-20-33)25-26-46-32-21-15-31(16-22-32)40-39-30-11-7-4-8-12-30/h3-24H,25-26H2,1-2H3,(H,38,42)(H,41,43)/b40-39+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540560 (CHEMBL4635054) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(N)=O Show InChI InChI=1S/C24H25N3O3/c1-24(2,23(25)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)27-26-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H2,25,28)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540559 (CHEMBL4638499) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C38H36N4O6S/c1-38(2,37(44)42-49(45,46)35-23-17-30(18-24-35)39-36(43)27-29-9-5-3-6-10-29)48-34-19-13-28(14-20-34)25-26-47-33-21-15-32(16-22-33)41-40-31-11-7-4-8-12-31/h3-24H,25-27H2,1-2H3,(H,39,43)(H,42,44)/b41-40+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540567 (CHEMBL4647531) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)Nc3ccccc3)cc2)cc1)C(N)=O Show InChI InChI=1S/C25H27N3O4/c1-25(2,23(26)29)32-22-12-8-18(9-13-22)16-17-31-21-14-10-20(11-15-21)28-24(30)27-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H2,26,29)(H2,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155328 (CHEMBL3781727) Show SMILES CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H22ClN3O4S3/c1-2-6-22(35-25-28-20-15-17(26)9-14-21(20)34-25)24(31)29-36(32,33)19-12-10-18(11-13-19)27-23(30)16-7-4-3-5-8-16/h3-5,7-15,22H,2,6H2,1H3,(H,27,30)(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155325 (CHEMBL3780991) Show SMILES CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H19ClN2O3S3/c1-3-4-17(27-19-21-15-11-13(20)7-10-16(15)26-19)18(23)22-28(24,25)14-8-5-12(2)6-9-14/h5-11,17H,3-4H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540569 (CHEMBL4635727) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)Nc3ccccc3)cc2)cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C31H31N3O4/c1-31(2,29(35)32-24-9-5-3-6-10-24)38-28-17-13-23(14-18-28)21-22-37-27-19-15-26(16-20-27)34-30(36)33-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3,(H,32,35)(H2,33,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155323 (CHEMBL3781370) Show SMILES CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23N3O2S/c24-18(19-22-14-7-3-4-8-17(14)26-19)16-9-10-23(16)20(25)15-11-12-5-1-2-6-13(12)21-15/h3-4,7-8,12-13,15-16,21H,1-2,5-6,9-11H2/t12-,13-,15?,16?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540563 (CHEMBL4644539) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(N)=O Show InChI InChI=1S/C25H26N2O4/c1-25(2,24(26)29)31-22-12-8-18(9-13-22)16-17-30-21-14-10-20(11-15-21)27-23(28)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H2,26,29)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155331 (CHEMBL3781952) Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H20ClNO5S/c1-23(2,22(27)25-31(28,29)20-6-4-3-5-7-20)30-19-14-10-17(11-15-19)21(26)16-8-12-18(24)13-9-16/h3-15H,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155448 (CHEMBL3781901) Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H27NO4S/c1-16-11-12-17(2)19(15-16)26-14-8-13-21(3,4)20(23)22-27(24,25)18-9-6-5-7-10-18/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540570 (CHEMBL4639127) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)Nc3ccccc3)cc2)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H33N3O4/c1-32(2,30(36)33-23-25-9-5-3-6-10-25)39-29-17-13-24(14-18-29)21-22-38-28-19-15-27(16-20-28)35-31(37)34-26-11-7-4-8-12-26/h3-20H,21-23H2,1-2H3,(H,33,36)(H2,34,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540565 (CHEMBL4641643) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H32N2O4/c1-32(2,31(36)33-23-25-9-5-3-6-10-25)38-29-17-13-24(14-18-29)21-22-37-28-19-15-27(16-20-28)34-30(35)26-11-7-4-8-12-26/h3-20H,21-23H2,1-2H3,(H,33,36)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540564 (CHEMBL4648827) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C31H30N2O4/c1-31(2,30(35)33-25-11-7-4-8-12-25)37-28-17-13-23(14-18-28)21-22-36-27-19-15-26(16-20-27)32-29(34)24-9-5-3-6-10-24/h3-20H,21-22H2,1-2H3,(H,32,34)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50540552 (CHEMBL4636990) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H29N3O5S/c1-30(2,29(34)33-39(35,36)28-11-7-4-8-12-28)38-27-17-13-23(14-18-27)21-22-37-26-19-15-25(16-20-26)32-31-24-9-5-3-6-10-24/h3-20H,21-22H2,1-2H3,(H,33,34)/b32-31+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARgamma LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50155327 (CHEMBL3781940) Show SMILES CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C20H20ClN3O4S3/c1-3-4-18(30-20-23-16-11-13(21)5-10-17(16)29-20)19(26)24-31(27,28)15-8-6-14(7-9-15)22-12(2)25/h5-11,18H,3-4H2,1-2H3,(H,22,25)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 ...				Eur J Med Chem 114: 191-200 (2016) Article DOI: 10.1016/j.ejmech.2016.02.064 BindingDB Entry DOI: 10.7270/Q2H9972K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50535441 (CHEMBL4461490) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(cc2)C#N)cc1)C(O)=O Show InChI InChI=1S/C25H23N3O4/c1-25(2,24(29)30)32-23-11-5-18(6-12-23)15-16-31-22-13-9-21(10-14-22)28-27-20-7-3-19(17-26)4-8-20/h3-14H,15-16H2,1-2H3,(H,29,30)/b28-27+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)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/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARgamma LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50535431 (CHEMBL4557173) Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccc(cc2)C#N)cc1)C(O)=O Show InChI InChI=1S/C25H23N3O4/c1-25(2,24(29)30)32-23-13-11-22(12-14-23)31-16-15-18-3-7-20(8-4-18)27-28-21-9-5-19(17-26)6-10-21/h3-14H,15-16H2,1-2H3,(H,29,30)/b28-27+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50535436 (CHEMBL4449760) Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-14-12-21(13-15-22)29-17-16-18-8-10-20(11-9-18)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50535435 (CHEMBL4453610) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(Br)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23BrN2O4/c1-24(2,23(28)29)31-22-11-3-17(4-12-22)15-16-30-21-13-9-20(10-14-21)27-26-19-7-5-18(25)6-8-19/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50535438 (CHEMBL4471853) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-11-3-17(4-12-22)15-16-30-21-13-9-20(10-14-21)27-26-19-7-5-18(25)6-8-19/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Binding affinity tohuman recombinant Serine hydroxymethyltransferase, cytosolic by isothermal titration calorimetry				Eur J Med Chem 46: 1616-21 (2011) Article DOI: 10.1016/j.ejmech.2011.02.009 BindingDB Entry DOI: 10.7270/Q22V2H35
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50535433 (CHEMBL4461949) Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-13-11-21(12-14-22)30-16-15-17-3-7-19(8-4-17)26-27-20-9-5-18(25)6-10-20/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50535441 (CHEMBL4461490) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(cc2)C#N)cc1)C(O)=O Show InChI InChI=1S/C25H23N3O4/c1-25(2,24(29)30)32-23-11-5-18(6-12-23)15-16-31-22-13-9-21(10-14-22)28-27-20-7-3-19(17-26)4-8-20/h3-14H,15-16H2,1-2H3,(H,29,30)/b28-27+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50535440 (CHEMBL4438226) Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccc(cc2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C25H23F3N2O4/c1-24(2,23(31)32)34-22-13-11-21(12-14-22)33-16-15-17-3-7-19(8-4-17)29-30-20-9-5-18(6-10-20)25(26,27)28/h3-14H,15-16H2,1-2H3,(H,31,32)/b30-29+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50085041 (2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...) Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50535439 (CHEMBL4444322) Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccc(cc2)[N+]([O-])=O)cc1)C(O)=O Show InChI InChI=1S/C24H23N3O6/c1-24(2,23(28)29)33-22-13-11-21(12-14-22)32-16-15-17-3-5-18(6-4-17)25-26-19-7-9-20(10-8-19)27(30)31/h3-14H,15-16H2,1-2H3,(H,28,29)/b26-25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50535436 (CHEMBL4449760) Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-14-12-21(13-15-22)29-17-16-18-8-10-20(11-9-18)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARgamma LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair

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