Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'faudone' and Initial = 'g'   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348176 (CHEMBL1562432) Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8,20H,3,6H2,1-2H3/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.433	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.4				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50058235 (8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21 |THB:6:17:22.24:20,23:22:20:17.18,23:24:20:17.18| Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50003019 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086173 (CHEMBL17002 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.8				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.8				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.0				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50233086 (8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50020986 (CHEMBL11002 | N-(2-Dimethylamino-ethyl)-4-(2,6-dio...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C Show InChI InChI=1S/C21H30N6O4S/c1-5-12-26-19-17(20(28)27(13-6-2)21(26)29)23-18(24-19)15-7-9-16(10-8-15)32(30,31)22-11-14-25(3)4/h7-10,22H,5-6,11-14H2,1-4H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50227339 (CHEMBL158077) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1O Show InChI InChI=1S/C19H23N5O5/c1-3-7-23-17-15(18(27)24(8-4-2)19(23)28)21-16(22-17)12-6-5-11(9-13(12)25)29-10-14(20)26/h5-6,9,25H,3-4,7-8,10H2,1-2H3,(H2,20,26)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50391223 (CHEMBL355370) Show SMILES Nc1ncc(OCc2ccc(OCCCCN3C(=O)c4ccccc4C3=O)cc2)c(N)n1 Show InChI InChI=1S/C23H23N5O4/c24-20-19(13-26-23(25)27-20)32-14-15-7-9-16(10-8-15)31-12-4-3-11-28-21(29)17-5-1-2-6-18(17)22(28)30/h1-2,5-10,13H,3-4,11-12,14H2,(H4,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50391227 (CHEMBL273671) Show SMILES Cc1nc(N)nc(N)c1CCCc1ccccc1 Show InChI InChI=1S/C14H18N4/c1-10-12(13(15)18-14(16)17-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H4,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50042209 (4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118811 (5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-...) Show SMILES CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C19H29N5O6/c1-4-6-8-22-15-11(17(28)23(19(22)29)9-7-5-2)24(10-21-15)18-13(26)12(25)14(30-18)16(27)20-3/h10,12-14,18,25-26H,4-9H2,1-3H3,(H,20,27)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50391228 (8-(P-Sulfophenyl)Theophylline | 8-(P-Sulfophenyl)T...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C24H25N5O4/c1-32-19-9-8-15(12-16-14-27-24(26)28-21(16)25)13-20(19)33-11-5-4-10-29-22(30)17-6-2-3-7-18(17)23(29)31/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H4,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Ability to inhibit U-46,619-induced contraction of isolated strips of guinea pig tracheal chain, which is the measure of thromboxane receptor antagon...				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50391224 (8-PHENYL THEOPHYLLINE | 8-PT | 8-Phenyl-1,3-dimeth...) Show SMILES Nc1ncc(CCc2ccccc2)c(N)n1 Show InChI InChI=1S/C12H14N4/c13-11-10(8-15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50391225 (CHEMBL11348) Show SMILES Nc1ncc(\C=C\c2ccccc2)c(N)n1 Show InChI InChI=1S/C12H12N4/c13-11-10(8-15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-8H,(H4,13,14,15,16)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig trachea				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50014260 (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...) Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514824 (CHEMBL4560767) Show SMILES CCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C24H28N2O3S2/c1-5-6-7-19(22(28)29)30-23-26-18-13-12-17(14-20(18)31-23)25-21(27)15-8-10-16(11-9-15)24(2,3)4/h8-14,19H,5-7H2,1-4H3,(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514825 (CHEMBL4445012) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C27H28N2O4S3/c1-2-3-4-8-11-24(26(30)31)34-27-28-23-17-14-21(18-25(23)35-27)29-36(32,33)22-15-12-20(13-16-22)19-9-6-5-7-10-19/h5-7,9-10,12-18,24,29H,2-4,8,11H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514826 (CHEMBL4586557) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H26N2O2S2/c1-2-3-4-8-11-19(21(25)26)27-22-24-18-13-12-17(14-20(18)28-22)23-15-16-9-6-5-7-10-16/h5-7,9-10,12-14,19,23H,2-4,8,11,15H2,1H3,(H,25,26)	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	1.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514827 (CHEMBL4445084) Show SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O |r| Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514828 (CHEMBL4571498) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C25H32N2O4S3/c1-5-6-7-8-9-21(23(28)29)32-24-26-20-15-12-18(16-22(20)33-24)27-34(30,31)19-13-10-17(11-14-19)25(2,3)4/h10-16,21,27H,5-9H2,1-4H3,(H,28,29)	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	700	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50514829 (CHEMBL4443192) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(F)(F)F)cc2s1)C(O)=O Show InChI InChI=1S/C23H25F3N2O2S2/c1-2-3-4-5-6-19(21(29)30)31-22-28-18-12-11-17(13-20(18)32-22)27-14-15-7-9-16(10-8-15)23(24,25)26/h7-13,19,27H,2-6,14H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514830 (CHEMBL4519376) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24N2O3S2/c1-2-3-4-8-11-18(21(26)27)28-22-24-17-13-12-16(14-19(17)29-22)23-20(25)15-9-6-5-7-10-15/h5-7,9-10,12-14,18H,2-4,8,11H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	770	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514831 (CHEMBL4548480) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)cc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H25ClN2O2S2/c1-2-3-4-5-6-19(21(26)27)28-22-25-18-12-11-17(13-20(18)29-22)24-14-15-7-9-16(23)10-8-15/h7-13,19,24H,2-6,14H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514829 (CHEMBL4443192) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(F)(F)F)cc2s1)C(O)=O Show InChI InChI=1S/C23H25F3N2O2S2/c1-2-3-4-5-6-19(21(29)30)31-22-28-18-12-11-17(13-20(18)32-22)27-14-15-7-9-16(10-8-15)23(24,25)26/h7-13,19,27H,2-6,14H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514832 (CHEMBL4483378) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3cccc(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H25ClN2O2S2/c1-2-3-4-5-9-19(21(26)27)28-22-25-18-11-10-17(13-20(18)29-22)24-14-15-7-6-8-16(23)12-15/h6-8,10-13,19,24H,2-5,9,14H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514833 (CHEMBL4446031) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24Cl2N2O2S2/c1-2-3-4-5-6-19(21(27)28)29-22-26-18-10-8-15(12-20(18)30-22)25-13-14-7-9-16(23)17(24)11-14/h7-12,19,25H,2-6,13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514834 (CHEMBL4541281) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc4ccccc4c3)cc2s1)C(O)=O Show InChI InChI=1S/C26H28N2O2S2/c1-2-3-4-5-10-23(25(29)30)31-26-28-22-14-13-21(16-24(22)32-26)27-17-18-11-12-19-8-6-7-9-20(19)15-18/h6-9,11-16,23,27H,2-5,10,17H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514835 (CHEMBL4474407) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1)C(O)=O Show InChI InChI=1S/C21H23ClN2O4S3/c1-2-3-4-5-6-18(20(25)26)29-21-23-17-12-9-15(13-19(17)30-21)24-31(27,28)16-10-7-14(22)8-11-16/h7-13,18,24H,2-6H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50514836 (CHEMBL4466709) Show SMILES CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514830 (CHEMBL4519376) Show SMILES CCCCCCC(Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24N2O3S2/c1-2-3-4-8-11-18(21(26)27)28-22-24-17-13-12-16(14-19(17)29-22)23-20(25)15-9-6-5-7-10-15/h5-7,9-10,12-14,18H,2-4,8,11H2,1H3,(H,23,25)(H,26,27)	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	4.90E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514824 (CHEMBL4560767) Show SMILES CCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C24H28N2O3S2/c1-5-6-7-19(22(28)29)30-23-26-18-13-12-17(14-20(18)31-23)25-21(27)15-8-10-16(11-9-15)24(2,3)4/h8-14,19H,5-7H2,1-4H3,(H,25,27)(H,28,29)	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	3.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50514837 (CHEMBL4460166) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C26H34N2O2S2/c1-5-6-7-8-9-22(24(29)30)31-25-28-21-15-14-20(16-23(21)32-25)27-17-18-10-12-19(13-11-18)26(2,3)4/h10-16,22,27H,5-9,17H2,1-4H3,(H,29,30)	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	3.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
					More data for this Ligand-Target Pair

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