Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50002325   

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 A1 (Rattus norvegicus (rat))	BDBM82013 (8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82010 (1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021004 (8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N Show InChI InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021453 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021453 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021456 (Acetic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1 Show InChI InChI=1S/C19H22N4O4/c1-4-10-22-17-15(18(25)23(11-5-2)19(22)26)20-16(21-17)13-6-8-14(9-7-13)27-12(3)24/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021452 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021448 (8-(2-Hydroxy-4-methoxy-phenyl)-1,3-dipropyl-3,7-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O Show InChI InChI=1S/C18H22N4O4/c1-4-8-21-16-14(17(24)22(9-5-2)18(21)25)19-15(20-16)12-7-6-11(26-3)10-13(12)23/h6-7,10,23H,4-5,8-9H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021456 (Acetic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1 Show InChI InChI=1S/C19H22N4O4/c1-4-10-22-17-15(18(25)23(11-5-2)19(22)26)20-16(21-17)13-6-8-14(9-7-13)27-12(3)24/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021004 (8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N Show InChI InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021455 (8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021450 (8-(4-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1 Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021450 (8-(4-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1 Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021457 (8-(2,3-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccc(O)c1O Show InChI InChI=1S/C17H20N4O4/c1-3-8-20-15-12(16(24)21(9-4-2)17(20)25)18-14(19-15)10-6-5-7-11(22)13(10)23/h5-7,22-23H,3-4,8-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021460 (8-(3-Chloro-4-hydroxy-phenyl)-1,3-dipropyl-3,7-dih...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C17H19ClN4O3/c1-3-7-21-15-13(16(24)22(8-4-2)17(21)25)19-14(20-15)10-5-6-12(23)11(18)9-10/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021458 (8-(4-Dimethylamino-phenyl)-1,3-dipropyl-3,7-dihydr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C19H25N5O2/c1-5-11-23-17-15(18(25)24(12-6-2)19(23)26)20-16(21-17)13-7-9-14(10-8-13)22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82010 (1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021451 (8-(2,4-Difluoro-phenyl)-1,3-dipropyl-3,7-dihydro-p...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(F)cc1F Show InChI InChI=1S/C17H18F2N4O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021453 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021453 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021455 (8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021458 (8-(4-Dimethylamino-phenyl)-1,3-dipropyl-3,7-dihydr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C19H25N5O2/c1-5-11-23-17-15(18(25)24(12-6-2)19(23)26)20-16(21-17)13-7-9-14(10-8-13)22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018151 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021452 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021460 (8-(3-Chloro-4-hydroxy-phenyl)-1,3-dipropyl-3,7-dih...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C17H19ClN4O3/c1-3-7-21-15-13(16(24)22(8-4-2)17(21)25)19-14(20-15)10-5-6-12(23)11(18)9-10/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018151 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018162 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021457 (8-(2,3-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccc(O)c1O Show InChI InChI=1S/C17H20N4O4/c1-3-8-20-15-12(16(24)21(9-4-2)17(20)25)18-14(19-15)10-6-5-7-11(22)13(10)23/h5-7,22-23H,3-4,8-9H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021451 (8-(2,4-Difluoro-phenyl)-1,3-dipropyl-3,7-dihydro-p...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(F)cc1F Show InChI InChI=1S/C17H18F2N4O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021454 (8-(2,5-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)ccc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-9-10(22)5-6-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021459 (8-(4-Chloro-2-methoxy-phenyl)-1,3-dipropyl-3,7-dih...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1OC Show InChI InChI=1S/C18H21ClN4O3/c1-4-8-22-16-14(17(24)23(9-5-2)18(22)25)20-15(21-16)12-7-6-11(19)10-13(12)26-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018162 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021448 (8-(2-Hydroxy-4-methoxy-phenyl)-1,3-dipropyl-3,7-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O Show InChI InChI=1S/C18H22N4O4/c1-4-8-21-16-14(17(24)22(9-5-2)18(21)25)19-15(20-16)12-7-6-11(26-3)10-13(12)23/h6-7,10,23H,4-5,8-9H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82013 (8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021459 (8-(4-Chloro-2-methoxy-phenyl)-1,3-dipropyl-3,7-dih...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1OC Show InChI InChI=1S/C18H21ClN4O3/c1-4-8-22-16-14(17(24)23(9-5-2)18(22)25)20-15(21-16)12-7-6-11(19)10-13(12)26-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021454 (8-(2,5-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)ccc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-9-10(22)5-6-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair