Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50028494   

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 (BOVINE)	BDBM50257025 (4-(cyclohexylamino)-2-phenylpyrido[2,3-e][1,2,4]tr...) Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1 Show InChI InChI=1S/C20H20N6O/c27-20-25-16-12-7-13-21-17(16)23-18(22-14-8-3-1-4-9-14)19(25)24-26(20)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50257026 (4-(cyclopentylamino)-2-phenylpyrido[2,3-e][1,2,4]t...) Show SMILES O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1 Show InChI InChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50256972 (4-amino-2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a...) Show SMILES Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C14H10N6O/c15-11-13-18-20(9-5-2-1-3-6-9)14(21)19(13)10-7-4-8-16-12(10)17-11/h1-8H,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50256925 (2-(4-methoxyphenyl)pyrido[2,3-e][1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O Show InChI InChI=1S/C15H11N5O3/c1-23-10-6-4-9(5-7-10)20-15(22)19-11-3-2-8-16-12(11)17-14(21)13(19)18-20/h2-8H,1H3,(H,16,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257074 (CHEMBL474016 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O Show InChI InChI=1S/C22H16N6O3/c1-31-16-11-9-15(10-12-16)28-22(30)27-17-8-5-13-23-18(17)24-19(20(27)26-28)25-21(29)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149357 (2-(4-Methoxy-phenyl)-6-nitro-2H,5H-[1,2,4]triazolo...) Show SMILES COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O Show InChI InChI=1S/C16H11N5O5/c1-26-10-7-5-9(6-8-10)20-16(23)19-11-3-2-4-12(21(24)25)13(11)17-15(22)14(19)18-20/h2-8H,1H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149358 (4-Amino-6-nitro-2-phenyl-2H-[1,2,4]triazolo[4,3-a]...) Show SMILES Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O Show InChI InChI=1S/C15H10N6O3/c16-13-14-18-20(9-5-2-1-3-6-9)15(22)19(14)10-7-4-8-11(21(23)24)12(10)17-13/h1-8H,(H2,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50189820 (4-acetamido-1,2-dihydro-6-nitro-2-phenyl-1,2,4-tri...) Show SMILES CC(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O Show InChI InChI=1S/C17H12N6O4/c1-10(24)18-15-16-20-22(11-6-3-2-4-7-11)17(25)21(16)12-8-5-9-13(23(26)27)14(12)19-15/h2-9H,1H3,(H,18,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50257072 (CHEMBL473839 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257113 (CHEMBL475026 | N-benzoyl-N-(2-(4-methoxyphenyl)-1-...) Show SMILES COc1ccc(cc1)-n1nc2c(nc3ncccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H20N6O4/c1-39-22-16-14-21(15-17-22)35-29(38)33-23-13-8-18-30-24(23)31-25(26(33)32-35)34(27(36)19-9-4-2-5-10-19)28(37)20-11-6-3-7-12-20/h2-18H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257026 (4-(cyclopentylamino)-2-phenylpyrido[2,3-e][1,2,4]t...) Show SMILES O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1 Show InChI InChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257072 (CHEMBL473839 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50257027 (CHEMBL514156 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES CC(=O)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C16H12N6O2/c1-10(23)18-14-15-20-22(11-6-3-2-4-7-11)16(24)21(15)12-8-5-9-17-13(12)19-14/h2-9H,1H3,(H,17,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257025 (4-(cyclohexylamino)-2-phenylpyrido[2,3-e][1,2,4]tr...) Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1 Show InChI InChI=1S/C20H20N6O/c27-20-25-16-12-7-13-21-17(16)23-18(22-14-8-3-1-4-9-14)19(25)24-26(20)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50189813 (4-benzamido-6-nitro-2-phenyl-1,2-dihydro-1,2,4-tri...) Show SMILES [O-][N+](=O)c1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21 Show InChI InChI=1S/C22H14N6O4/c29-21(14-8-3-1-4-9-14)24-19-20-25-27(15-10-5-2-6-11-15)22(30)26(20)16-12-7-13-17(28(31)32)18(16)23-19/h1-13H,(H,23,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257073 (CHEMBL516049 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3ncccc3n2c1=O Show InChI InChI=1S/C17H14N6O3/c1-10(24)19-15-16-21-23(11-5-7-12(26-2)8-6-11)17(25)22(16)13-4-3-9-18-14(13)20-15/h3-9H,1-2H3,(H,18,19,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149370 (4-Amino-2-(4-methoxy-phenyl)-6-nitro-2H-[1,2,4]tri...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C16H12N6O4/c1-26-10-7-5-9(6-8-10)21-16(23)20-11-3-2-4-12(22(24)25)13(11)18-14(17)15(20)19-21/h2-8H,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257028 (CHEMBL473650 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES O=C(Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-18-19-25-27(15-10-5-2-6-11-15)21(29)26(19)16-12-7-13-22-17(16)23-18/h1-13H,(H,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50257075 (CHEMBL516372 | N-benzoyl-N-(1-oxo-2-phenyl-1,2-dih...) Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C28H18N6O3/c35-26(19-11-4-1-5-12-19)33(27(36)20-13-6-2-7-14-20)24-25-31-34(21-15-8-3-9-16-21)28(37)32(25)22-17-10-18-29-23(22)30-24/h1-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50257024 (4-amino-2-(4-hydroxyphenyl)pyrido[2,3-e][1,2,4]tri...) Show SMILES Nc1nc2ncccc2n2c1nn(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C14H10N6O2/c15-11-13-18-20(8-3-5-9(21)6-4-8)14(22)19(13)10-2-1-7-16-12(10)17-11/h1-7,21H,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50256925 (2-(4-methoxyphenyl)pyrido[2,3-e][1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O Show InChI InChI=1S/C15H11N5O3/c1-23-10-6-4-9(5-7-10)20-15(22)19-11-3-2-8-16-12(11)17-14(21)13(19)18-20/h2-8H,1H3,(H,16,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257152 (4-(cyclopentylamino)-6-nitro-2-phenyl-[1,2,4]triaz...) Show SMILES [O-][N+](=O)c1cccc2c1nc(NC1CCCC1)c1nn(-c3ccccc3)c(=O)n21 Show InChI InChI=1S/C20H18N6O3/c27-20-24-15-11-6-12-16(26(28)29)17(15)22-18(21-13-7-4-5-8-13)19(24)23-25(20)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257027 (CHEMBL514156 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES CC(=O)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C16H12N6O2/c1-10(23)18-14-15-20-22(11-6-3-2-4-7-11)16(24)21(15)12-8-5-9-17-13(12)19-14/h2-9H,1H3,(H,17,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50256924 (2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin...) Show SMILES O=c1n(nc2n1c1cccnc1[nH]c2=O)-c1ccccc1 Show InChI InChI=1S/C14H9N5O2/c20-13-12-17-19(9-5-2-1-3-6-9)14(21)18(12)10-7-4-8-15-11(10)16-13/h1-8H,(H,15,16,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50257028 (CHEMBL473650 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES O=C(Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-18-19-25-27(15-10-5-2-6-11-15)21(29)26(19)16-12-7-13-22-17(16)23-18/h1-13H,(H,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50256973 (4-amino-2-(4-methoxyphenyl)pyrido[2,3-e][1,2,4]tri...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ncccc3n2c1=O Show InChI InChI=1S/C15H12N6O2/c1-23-10-6-4-9(5-7-10)21-15(22)20-11-3-2-8-17-13(11)18-12(16)14(20)19-21/h2-8H,1H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50256974 (4-amino-2-(4-fluorophenyl)pyrido[2,3-e][1,2,4]tria...) Show SMILES Nc1nc2ncccc2n2c1nn(-c1ccc(F)cc1)c2=O Show InChI InChI=1S/C14H9FN6O/c15-8-3-5-9(6-4-8)21-14(22)20-10-2-1-7-17-12(10)18-11(16)13(20)19-21/h1-7H,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50257072 (CHEMBL473839 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50257026 (4-(cyclopentylamino)-2-phenylpyrido[2,3-e][1,2,4]t...) Show SMILES O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1 Show InChI InChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50257025 (4-(cyclohexylamino)-2-phenylpyrido[2,3-e][1,2,4]tr...) Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1 Show InChI InChI=1S/C20H20N6O/c27-20-25-16-12-7-13-21-17(16)23-18(22-14-8-3-1-4-9-14)19(25)24-26(20)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50189816 (4-benzamido-2-(4-methoxyphenyl)-6-nitro-1,2-dihydr...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C23H16N6O5/c1-34-16-12-10-15(11-13-16)28-23(31)27-17-8-5-9-18(29(32)33)19(17)24-20(21(27)26-28)25-22(30)14-6-3-2-4-7-14/h2-13H,1H3,(H,24,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50256924 (2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin...) Show SMILES O=c1n(nc2n1c1cccnc1[nH]c2=O)-c1ccccc1 Show InChI InChI=1S/C14H9N5O2/c20-13-12-17-19(9-5-2-1-3-6-9)14(21)18(12)10-7-4-8-15-11(10)16-13/h1-8H,(H,15,16,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257114 (6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline...) Show SMILES [O-][N+](=O)c1cccc2c1[nH]c(=O)c1nn(-c3ccccc3)c(=O)n21 Show InChI InChI=1S/C15H9N5O4/c21-14-13-17-19(9-5-2-1-3-6-9)15(22)18(13)10-7-4-8-11(20(23)24)12(10)16-14/h1-8H,(H,16,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257151 (4-(cyclohexylamino)-6-nitro-2-phenyl-[1,2,4]triazo...) Show SMILES [O-][N+](=O)c1cccc2c1nc(NC1CCCCC1)c1nn(-c3ccccc3)c(=O)n21 Show InChI InChI=1S/C21H20N6O3/c28-21-25-16-12-7-13-17(27(29)30)18(16)23-19(22-14-8-3-1-4-9-14)20(25)24-26(21)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50256926 (2-(4-fluorophenyl)pyrido[2,3-e][1,2,4]triazolo[4,3...) Show SMILES Fc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O Show InChI InChI=1S/C14H8FN5O2/c15-8-3-5-9(6-4-8)20-14(22)19-10-2-1-7-16-11(10)17-13(21)12(19)18-20/h1-7H,(H,16,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257075 (CHEMBL516372 | N-benzoyl-N-(1-oxo-2-phenyl-1,2-dih...) Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C28H18N6O3/c35-26(19-11-4-1-5-12-19)33(27(36)20-13-6-2-7-14-20)24-25-31-34(21-15-8-3-9-16-21)28(37)32(25)22-17-10-18-29-23(22)30-24/h1-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	335	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50189821 (CHEMBL377781 | N-benzoyl-N-(2-(4-methoxyphenyl)-6-...) Show SMILES COc1ccc(cc1)-n1nc2c(nc3c(cccc3n2c1=O)[N+]([O-])=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C30H20N6O6/c1-42-22-17-15-21(16-18-22)35-30(39)33-23-13-8-14-24(36(40)41)25(23)31-26(27(33)32-35)34(28(37)19-9-4-2-5-10-19)29(38)20-11-6-3-7-12-20/h2-18H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50257074 (CHEMBL474016 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O Show InChI InChI=1S/C22H16N6O3/c1-31-16-11-9-15(10-12-16)28-22(30)27-17-8-5-13-23-18(17)24-19(20(27)26-28)25-21(29)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50256971 (2-(4-Hydroxyphenyl)-1,2-dihydropyrido[2,3-e]-1,2,4...) Show SMILES Oc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O Show InChI InChI=1S/C14H9N5O3/c20-9-5-3-8(4-6-9)19-14(22)18-10-2-1-7-15-11(10)16-13(21)12(18)17-19/h1-7,20H,(H,15,16,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50256974 (4-amino-2-(4-fluorophenyl)pyrido[2,3-e][1,2,4]tria...) Show SMILES Nc1nc2ncccc2n2c1nn(-c1ccc(F)cc1)c2=O Show InChI InChI=1S/C14H9FN6O/c15-8-3-5-9(6-4-8)21-14(22)20-10-2-1-7-17-12(10)18-11(16)13(20)19-21/h1-7H,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50257074 (CHEMBL474016 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O Show InChI InChI=1S/C22H16N6O3/c1-31-16-11-9-15(10-12-16)28-22(30)27-17-8-5-13-23-18(17)24-19(20(27)26-28)25-21(29)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	587	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain membrane				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50256926 (2-(4-fluorophenyl)pyrido[2,3-e][1,2,4]triazolo[4,3...) Show SMILES Fc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O Show InChI InChI=1S/C14H8FN5O2/c15-8-3-5-9(6-4-8)20-14(22)19-10-2-1-7-16-11(10)17-13(21)12(19)18-20/h1-7H,(H,16,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50256972 (4-amino-2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a...) Show SMILES Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C14H10N6O/c15-11-13-18-20(9-5-2-1-3-6-9)14(21)19(13)10-7-4-8-16-12(10)17-11/h1-8H,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	656	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50256973 (4-amino-2-(4-methoxyphenyl)pyrido[2,3-e][1,2,4]tri...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ncccc3n2c1=O Show InChI InChI=1S/C15H12N6O2/c1-23-10-6-4-9(5-7-10)21-15(22)20-11-3-2-8-17-13(11)18-12(16)14(20)19-21/h2-8H,1H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257024 (4-amino-2-(4-hydroxyphenyl)pyrido[2,3-e][1,2,4]tri...) Show SMILES Nc1nc2ncccc2n2c1nn(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C14H10N6O2/c15-11-13-18-20(8-3-5-9(21)6-4-8)14(22)19(13)10-2-1-7-16-12(10)17-11/h1-7,21H,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50257028 (CHEMBL473650 | N-(1-oxo-2-phenyl-1,2-dihydropyrido...) Show SMILES O=C(Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-18-19-25-27(15-10-5-2-6-11-15)21(29)26(19)16-12-7-13-22-17(16)23-18/h1-13H,(H,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair

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