Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'wang' and Initial = 'ky'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50044625 (CHEMBL3360190) Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11| Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of CB2 receptor (unknown origin)				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5244 ((5S,6S)-5-carbamimidamido-6-acetamido-1-(2-ethylbu...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#6](=O)-[#7]-1-[#7]=[#6](-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8| Show InChI InChI=1S/C14H24N6O4/c1-4-8(5-2)12(22)20-11(17-7(3)21)9(18-14(15)16)6-10(19-20)13(23)24/h8-9,11H,4-6H2,1-3H3,(H,17,21)(H,23,24)(H4,15,16,18)/t9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50144206 ((1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-3-hydro...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F |c:19| Show InChI InChI=1S/C11H12FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006222 ((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13| Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C[C@@H](O)[C@H]1O |c:13| Show InChI InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5243 ((5S,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...) Show SMILES CCC(CC)C(=O)N1N=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50144205 ((1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-cyclope...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C=C1F |c:17| Show InChI InChI=1S/C10H10FN5O2/c11-4-1-5(17)8(18)7(4)16-3-15-6-9(12)13-2-14-10(6)16/h1-3,5,7-8,17-18H,(H2,12,13,14)/t5-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50240464 ((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pe...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Antagonist activity at PPARgamma (unknown origin)				Bioorg Med Chem Lett 24: 2957-62 (2014) Article DOI: 10.1016/j.bmcl.2014.04.019 BindingDB Entry DOI: 10.7270/Q2FB54HC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5244 ((5S,6S)-5-carbamimidamido-6-acetamido-1-(2-ethylbu...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#6](=O)-[#7]-1-[#7]=[#6](-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8| Show InChI InChI=1S/C14H24N6O4/c1-4-8(5-2)12(22)20-11(17-7(3)21)9(18-14(15)16)6-10(19-20)13(23)24/h8-9,11H,4-6H2,1-3H3,(H,17,21)(H,23,24)(H4,15,16,18)/t9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50336547 (5-(6-Aminopurin-9-yl)-4-chloro-3-hydroxymethylcycl...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1Cl |r,c:19| Show InChI InChI=1S/C11H12ClN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50336548 (5-(6-Aminopurin-9-yl)-4-bromo-3-hydroxymethyl-cycl...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1Br |r,c:19| Show InChI InChI=1S/C11H12BrN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5243 ((5S,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...) Show SMILES CCC(CC)C(=O)N1N=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5245 ((5R,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...) Show SMILES CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50336551 (5-(6-Aminopurin-9-yl)-4-bromocyclopent-3-ene-1,2-d...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C=C1Br |r,c:17| Show InChI InChI=1S/C10H10BrN5O2/c11-4-1-5(17)8(18)7(4)16-3-15-6-9(12)13-2-14-10(6)16/h1-3,5,7-8,17-18H,(H2,12,13,14)/t5-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50336550 (5-(6-Aminopurin-9-yl)-4-chlorocyclopent-3-ene-1,2-...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C=C1Cl |r,c:17| Show InChI InChI=1S/C10H10ClN5O2/c11-4-1-5(17)8(18)7(4)16-3-15-6-9(12)13-2-14-10(6)16/h1-3,5,7-8,17-18H,(H2,12,13,14)/t5-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5245 ((5R,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...) Show SMILES CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50336552 (5-(6-Aminopurin-9-yl)-4-iodocyclopent-3-ene-1,2-di...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C=C1I |r,c:17| Show InChI InChI=1S/C10H10IN5O2/c11-4-1-5(17)8(18)7(4)16-3-15-6-9(12)13-2-14-10(6)16/h1-3,5,7-8,17-18H,(H2,12,13,14)/t5-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50336549 (5-(6-Aminopurin-9-yl)-4-iodo-3-hydroxymethylcyclop...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1I |r,c:19| Show InChI InChI=1S/C11H12IN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109				J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	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	4.13E+4	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARalpha expressed in HepG2 cells cotransfected with pGL3-PPRE3-TK-luc reporter assessed as beta-galactosidase...				Bioorg Med Chem Lett 21: 5876-80 (2011) Article DOI: 10.1016/j.bmcl.2011.07.095 BindingDB Entry DOI: 10.7270/Q2TD9XRN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to human PPAR-alpha LBD assessed as recruitment of fluorescein-labeled coactivator peptide by surface plasmon resonance method				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50044625 (CHEMBL3360190) Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11| Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to human PPAR-alpha LBD assessed as recruitment of fluorescein-labeled coactivator peptide by surface plasmon resonance method				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia 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	7.10	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by TR-FRET assay				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to histidine-tagged human PPARalpha-LBD assessed as recruitment of co-activator peptide fluorescein-labeled PGC1alpha after 2 hrs by...				Bioorg Med Chem Lett 21: 5876-80 (2011) Article DOI: 10.1016/j.bmcl.2011.07.095 BindingDB Entry DOI: 10.7270/Q2TD9XRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia 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	14	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50044625 (CHEMBL3360190) Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11| Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.58E+3	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	9.64E+4	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to PPARalpha LBD (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 24: 2957-62 (2014) Article DOI: 10.1016/j.bmcl.2014.04.019 BindingDB Entry DOI: 10.7270/Q2FB54HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50240464 ((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pe...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to PPARalpha LBD (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 24: 2957-62 (2014) Article DOI: 10.1016/j.bmcl.2014.04.019 BindingDB Entry DOI: 10.7270/Q2FB54HC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia 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	1.86E+4	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPARalpha LBD (unknown origin) assessed as induction of PGC1alpha co-activator activity by TR-FRET analysis				Bioorg Med Chem Lett 24: 2957-62 (2014) Article DOI: 10.1016/j.bmcl.2014.04.019 BindingDB Entry DOI: 10.7270/Q2FB54HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50240464 ((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pe...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.34E+4	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPARalpha LBD (unknown origin) assessed as induction of PGC1alpha co-activator activity by TR-FRET analysis				Bioorg Med Chem Lett 24: 2957-62 (2014) Article DOI: 10.1016/j.bmcl.2014.04.019 BindingDB Entry DOI: 10.7270/Q2FB54HC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50044625 (CHEMBL3360190) Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11| Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by TR-FRET assay				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					More data for this Ligand-Target Pair