Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'nhiem' and Initial = 'nx'   

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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50140241 (Allopurinol | Aloral | Aluline 100 | Aluline 300 |...) Show SMILES O=c1[nH]cnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50203065 (3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...) Show SMILES O=C\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50485313 (Cinnacasolide C) Show SMILES COc1cc(Oc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H34O15/c1-35-15-8-12(38-25-23(33)21(31)19(29)17(9-27)40-25)4-5-13(15)37-11-3-6-14(16(7-11)36-2)39-26-24(34)22(32)20(30)18(10-28)41-26/h3-8,17-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50240642 ((E)-3-(2-Methoxy-phenyl)-propenal | 2-methoxy cinn...) Show SMILES COc1ccccc1\C=C\C=O Show InChI InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM7568 ((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...) Show SMILES Oc1ccccc1\C=C\C=O Show InChI InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50485315 (Cinnacasolide B) Show SMILES OC\C=C\c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H28O11/c21-7-3-5-11-4-1-2-6-12(11)30-18-16(25)15(24)14(23)13(31-18)8-28-19-17(26)20(27,9-22)10-29-19/h1-6,13-19,21-27H,7-10H2/b5-3+/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50485314 (Cinnacasolide A) Show SMILES COC(=O)c1cccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C19H26O12/c1-27-16(25)9-3-2-4-10(5-9)30-17-14(23)13(22)12(21)11(31-17)6-28-18-15(24)19(26,7-20)8-29-18/h2-5,11-15,17-18,20-24,26H,6-8H2,1H3/t11-,12-,13+,14-,15+,17-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50310452 (CHEMBL1083511 | rosavin) Show SMILES O[C@H]1CO[C@@H](OC[C@H]2O[C@H](OC\C=C\c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H28O10/c21-12-9-28-19(17(25)14(12)22)29-10-13-15(23)16(24)18(26)20(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50310450 (CHEMBL1087939 | methyl dihydromelilotoside) Show SMILES COC(=O)CCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22O8/c1-22-12(18)7-6-9-4-2-3-5-10(9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-5,11,13-17,19-21H,6-8H2,1H3/t11-,13-,14+,15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50310449 (CHEMBL1087938 | dihydromelilotoside) Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H20O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-4,10,12-16,19-21H,5-7H2,(H,17,18)/t10-,12-,13+,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50211193 (3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | CHEMBL2...) Show SMILES COc1cc(\C=C\C=O)ccc1O Show InChI InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50310446 ((E)-3-Phenyl-prop-2-en-1-ol | 3-phenylprop-2-en-1-...) Show SMILES OC\C=C\c1ccccc1 Show InChI InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50394342 (CHEMBL458899) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-18(9-4-15-5-10-19(29)20(30)11-15)12-17(28)8-3-14-1-6-16(27)7-2-14/h1-2,5-7,10-11,17-18,21-33H,3-4,8-9,12-13H2/t17-,18-,21-,22-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.29E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50394343 (CHEMBL516827) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)cc2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,19-32H,5-6,11-14H2/t19-,20-,21-,22-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50394344 (CHEMBL2159607) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(O)c(O)c3)O[C@@H](C2)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H32O11/c26-11-21-22(31)23(32)24(33)25(36-21)35-15-9-14(4-1-12-2-5-16(27)18(29)7-12)34-20(10-15)13-3-6-17(28)19(30)8-13/h2-3,5-8,14-15,20-33H,1,4,9-11H2/t14-,15+,20-,21+,22+,23-,24+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50394345 (CHEMBL2159606) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CCCC[C@H](O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C31H44O15/c32-13-22-24(37)26(39)28(41)30(45-22)43-20-9-6-15(11-18(20)35)3-1-2-4-17(34)8-5-16-7-10-21(19(36)12-16)44-31-29(42)27(40)25(38)23(14-33)46-31/h6-7,9-12,17,22-42H,1-5,8,13-14H2/t17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50394346 (CHEMBL2159605) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CCCCC(=O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C31H42O15/c32-13-22-24(37)26(39)28(41)30(45-22)43-20-9-6-15(11-18(20)35)3-1-2-4-17(34)8-5-16-7-10-21(19(36)12-16)44-31-29(42)27(40)25(38)23(14-33)46-31/h6-7,9-12,22-33,35-42H,1-5,8,13-14H2/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.71E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50394344 (CHEMBL2159607) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(O)c(O)c3)O[C@@H](C2)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H32O11/c26-11-21-22(31)23(32)24(33)25(36-21)35-15-9-14(4-1-12-2-5-16(27)18(29)7-12)34-20(10-15)13-3-6-17(28)19(30)8-13/h2-3,5-8,14-15,20-33H,1,4,9-11H2/t14-,15+,20-,21+,22+,23-,24+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50394341 (CHEMBL465800) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,15-16,21-34H,1-2,5-6,11-12H2/t15-,16-,21-,22-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50371235 (CIPROFIBRATE) Show SMILES CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(O)=O Show InChI InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394346 (CHEMBL2159605) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CCCCC(=O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C31H42O15/c32-13-22-24(37)26(39)28(41)30(45-22)43-20-9-6-15(11-18(20)35)3-1-2-4-17(34)8-5-16-7-10-21(19(36)12-16)44-31-29(42)27(40)25(38)23(14-33)46-31/h6-7,9-12,22-33,35-42H,1-5,8,13-14H2/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394345 (CHEMBL2159606) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CCCC[C@H](O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C31H44O15/c32-13-22-24(37)26(39)28(41)30(45-22)43-20-9-6-15(11-18(20)35)3-1-2-4-17(34)8-5-16-7-10-21(19(36)12-16)44-31-29(42)27(40)25(38)23(14-33)46-31/h6-7,9-12,17,22-42H,1-5,8,13-14H2/t17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394344 (CHEMBL2159607) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(O)c(O)c3)O[C@@H](C2)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H32O11/c26-11-21-22(31)23(32)24(33)25(36-21)35-15-9-14(4-1-12-2-5-16(27)18(29)7-12)34-20(10-15)13-3-6-17(28)19(30)8-13/h2-3,5-8,14-15,20-33H,1,4,9-11H2/t14-,15+,20-,21+,22+,23-,24+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394343 (CHEMBL516827) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)cc2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,19-32H,5-6,11-14H2/t19-,20-,21-,22-,23+,24-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394342 (CHEMBL458899) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-18(9-4-15-5-10-19(29)20(30)11-15)12-17(28)8-3-14-1-6-16(27)7-2-14/h1-2,5-7,10-11,17-18,21-33H,3-4,8-9,12-13H2/t17-,18-,21-,22-,23+,24-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394341 (CHEMBL465800) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,15-16,21-34H,1-2,5-6,11-12H2/t15-,16-,21-,22-,23+,24-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085045 (5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50394346 (CHEMBL2159605) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CCCCC(=O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C31H42O15/c32-13-22-24(37)26(39)28(41)30(45-22)43-20-9-6-15(11-18(20)35)3-1-2-4-17(34)8-5-16-7-10-21(19(36)12-16)44-31-29(42)27(40)25(38)23(14-33)46-31/h6-7,9-12,22-33,35-42H,1-5,8,13-14H2/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50394345 (CHEMBL2159606) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CCCC[C@H](O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C31H44O15/c32-13-22-24(37)26(39)28(41)30(45-22)43-20-9-6-15(11-18(20)35)3-1-2-4-17(34)8-5-16-7-10-21(19(36)12-16)44-31-29(42)27(40)25(38)23(14-33)46-31/h6-7,9-12,17,22-42H,1-5,8,13-14H2/t17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50394343 (CHEMBL516827) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)cc2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,19-32H,5-6,11-14H2/t19-,20-,21-,22-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50394342 (CHEMBL458899) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-18(9-4-15-5-10-19(29)20(30)11-15)12-17(28)8-3-14-1-6-16(27)7-2-14/h1-2,5-7,10-11,17-18,21-33H,3-4,8-9,12-13H2/t17-,18-,21-,22-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					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	650	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50394341 (CHEMBL465800) Show SMILES OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H34O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,15-16,21-34H,1-2,5-6,11-12H2/t15-,16-,21-,22-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 6681-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.099 BindingDB Entry DOI: 10.7270/Q28C9XCD
					More data for this Ligand-Target Pair