Compile Data Set for Download or QSAR

Found 418 hits with Last Name = 'redenti' and Initial = 's'   

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 A2a (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109461 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human A3 receptor expressed in CHO cells by scintillation counter				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109461 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137528 (CHEMBL3752514) Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C15H13N7O/c16-13-19-14(17-9-10-5-2-1-3-6-10)20-15-18-12(21-22(13)15)11-7-4-8-23-11/h1-8H,9H2,(H3,16,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137521 (CHEMBL3752621) Show SMILES O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H18N8O2/c31-22(24-16-10-5-2-6-11-16)28-21-27-19(23-14-15-8-3-1-4-9-15)26-20-25-18(29-30(20)21)17-12-7-13-32-17/h1-13H,14H2,(H3,23,24,25,26,27,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094701 (2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human A2A receptor expressed in CHO cells by scintillation counter				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047979 (CHEMBL3314876) Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C12H11N5O3/c1-2-19-11(18)7-6-14-12(13)17-10(7)15-9(16-17)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047991 (CHEMBL3314888) Show SMILES CCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C14H15N5O3/c1-3-15-14-16-8-9(13(20)21-4-2)12-17-11(18-19(12)14)10-6-5-7-22-10/h5-8H,3-4H2,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137527 (CHEMBL3752431) Show SMILES Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C14H17N7O/c15-12-18-13(16-9-5-2-1-3-6-9)19-14-17-11(20-21(12)14)10-7-4-8-22-10/h4,7-9H,1-3,5-6H2,(H3,15,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047990 (CHEMBL3314887) Show SMILES CCOC(=O)c1cnc(NC)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C13H13N5O3/c1-3-20-12(19)8-7-15-13(14-2)18-11(8)16-10(17-18)9-5-4-6-21-9/h4-7H,3H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047986 (CHEMBL3314883) Show SMILES CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16N6O4/c1-2-28-17(26)13-11-20-18(23-19(27)21-12-7-4-3-5-8-12)25-16(13)22-15(24-25)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,21,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137530 (CHEMBL3753079) Show SMILES O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047980 (CHEMBL3314877) Show SMILES CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C18H15N7O3/c1-19-16(26)12-10-20-17(23-18(27)21-11-6-3-2-4-7-11)25-15(12)22-14(24-25)13-8-5-9-28-13/h2-10H,1H3,(H,19,26)(H2,20,21,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137522 (CHEMBL3753012) Show SMILES O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H22N8O2/c30-21(23-15-10-5-2-6-11-15)27-20-26-18(22-14-8-3-1-4-9-14)25-19-24-17(28-29(19)20)16-12-7-13-31-16/h2,5-7,10-14H,1,3-4,8-9H2,(H3,22,23,24,25,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047995 (CHEMBL3314892) Show SMILES CCOC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C15H15N5O3/c1-2-22-14(21)10-8-16-15(17-9-5-6-9)20-13(10)18-12(19-20)11-4-3-7-23-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047993 (CHEMBL3314890) Show SMILES CCOC(=O)c1cnc(NC(C)C)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C15H17N5O3/c1-4-22-14(21)10-8-16-15(17-9(2)3)20-13(10)18-12(19-20)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50048011 (CHEMBL3314895) Show SMILES CCOC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H17N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047992 (CHEMBL3314889) Show SMILES CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H21N5O3/c1-3-5-6-9-18-17-19-11-12(16(23)24-4-2)15-20-14(21-22(15)17)13-8-7-10-25-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047978 (CHEMBL3313941) Show SMILES Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50048020 (CHEMBL3314903) Show SMILES CCOC(=O)c1cnc(NC2CCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C16H17N5O3/c1-2-23-15(22)11-9-17-16(18-10-5-3-6-10)21-14(11)19-13(20-21)12-7-4-8-24-12/h4,7-10H,2-3,5-6H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047982 (CHEMBL3314879) Show SMILES CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16N6O3/c1-20-18(27)13-11-21-19(22-15(26)10-12-6-3-2-4-7-12)25-17(13)23-16(24-25)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,27)(H,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137630 (CHEMBL3753690) Show SMILES C(Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1)c1ccccc1 Show InChI InChI=1S/C21H23N7O/c1-3-8-15(9-4-1)14-22-19-25-20(23-16-10-5-2-6-11-16)28-21(26-19)24-18(27-28)17-12-7-13-29-17/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047977 (CHEMBL3314875) Show SMILES CNC(=O)c1cnc(N)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C11H10N6O2/c1-13-10(18)6-5-14-11(12)17-9(6)15-8(16-17)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)(H,13,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137633 (CHEMBL3754573) Show SMILES C(Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1)c1ccccc1 Show InChI InChI=1S/C22H19N7O/c1-3-8-16(9-4-1)14-23-20-26-21(24-15-17-10-5-2-6-11-17)29-22(27-20)25-19(28-29)18-12-7-13-30-18/h1-13H,14-15H2,(H2,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137636 (CHEMBL3752432) Show SMILES Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C22H18FN7O/c23-17-10-8-16(9-11-17)14-25-21-27-20(24-13-15-5-2-1-3-6-15)28-22-26-19(29-30(21)22)18-7-4-12-31-18/h1-12H,13-14H2,(H2,24,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137529 (CHEMBL3754417) Show SMILES O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23N7O2/c30-18(14-15-8-3-1-4-9-15)24-21-26-20(23-16-10-5-2-6-11-16)27-22-25-19(28-29(21)22)17-12-7-13-31-17/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,23,24,25,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50048031 (CHEMBL3314913) Show SMILES CCOC(=O)c1cnc(NCC(C)C)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(17-8-10(2)3)21-14(11)19-13(20-21)12-6-5-7-24-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048060 (CHEMBL3314873) Show SMILES CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H20N6O4/c1-21-19(27)13-11-23-20(22-10-12-6-7-14(28-2)16(9-12)29-3)26-18(13)24-17(25-26)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,27)(H,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	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047985 (CHEMBL3314882) Show SMILES O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H22N6O3/c33-22(16-19-10-5-2-6-11-19)29-26-28-17-20(25(34)27-14-13-18-8-3-1-4-9-18)24-30-23(31-32(24)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,34)(H,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human A2B receptor expressed in HEK-293 cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048020 (CHEMBL3314903) Show SMILES CCOC(=O)c1cnc(NC2CCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C16H17N5O3/c1-2-23-15(22)11-9-17-16(18-10-5-3-6-10)21-14(11)19-13(20-21)12-7-4-8-24-12/h4,7-10H,2-3,5-6H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50137521 (CHEMBL3752621) Show SMILES O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H18N8O2/c31-22(24-16-10-5-2-6-11-16)28-21-27-19(23-14-15-8-3-1-4-9-15)26-20-25-18(29-30(20)21)17-12-7-13-32-17/h1-13H,14H2,(H3,23,24,25,26,27,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50137528 (CHEMBL3752514) Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C15H13N7O/c16-13-19-14(17-9-10-5-2-1-3-6-10)20-15-18-12(21-22(13)15)11-7-4-8-23-11/h1-8H,9H2,(H3,16,17,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048011 (CHEMBL3314895) Show SMILES CCOC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H17N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50047996 (CHEMBL3314893) Show SMILES CCOC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C17H19N5O3/c1-2-24-16(23)12-10-18-17(19-11-6-3-4-7-11)22-15(12)20-14(21-22)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047996 (CHEMBL3314893) Show SMILES CCOC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C17H19N5O3/c1-2-24-16(23)12-10-18-17(19-11-6-3-4-7-11)22-15(12)20-14(21-22)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047995 (CHEMBL3314892) Show SMILES CCOC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C15H15N5O3/c1-2-22-14(21)10-8-16-15(17-9-5-6-9)20-13(10)18-12(19-20)11-4-3-7-23-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50137633 (CHEMBL3754573) Show SMILES C(Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1)c1ccccc1 Show InChI InChI=1S/C22H19N7O/c1-3-8-16(9-4-1)14-23-20-26-21(24-15-17-10-5-2-6-11-17)29-22(27-20)25-19(28-29)18-12-7-13-30-18/h1-13H,14-15H2,(H2,23,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047994 (CHEMBL3314891) Show SMILES CCCCC(CC)CNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H27N5O3/c1-4-7-9-14(5-2)12-21-20-22-13-15(19(26)27-6-3)18-23-17(24-25(18)20)16-10-8-11-28-16/h8,10-11,13-14H,4-7,9,12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048014 (CHEMBL3314898) Show SMILES CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,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	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50048058 (CHEMBL3314871) Show SMILES CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C21H21N5O5/c1-4-30-20(27)14-12-23-21(22-11-13-7-8-15(28-2)17(10-13)29-3)26-19(14)24-18(25-26)16-6-5-9-31-16/h5-10,12H,4,11H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50047993 (CHEMBL3314890) Show SMILES CCOC(=O)c1cnc(NC(C)C)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C15H17N5O3/c1-4-22-14(21)10-8-16-15(17-9(2)3)20-13(10)18-12(19-20)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047997 (CHEMBL3314894) Show SMILES CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50047996 (CHEMBL3314893) Show SMILES CCOC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C17H19N5O3/c1-2-24-16(23)12-10-18-17(19-11-6-3-4-7-11)22-15(12)20-14(21-22)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048031 (CHEMBL3314913) Show SMILES CCOC(=O)c1cnc(NCC(C)C)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(17-8-10(2)3)21-14(11)19-13(20-21)12-6-5-7-24-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137637 (CHEMBL3754080) Show SMILES Fc1ccc(CNc2nc(NCc3ccc(F)cc3)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C22H17F2N7O/c23-16-7-3-14(4-8-16)12-25-20-28-21(26-13-15-5-9-17(24)10-6-15)31-22(29-20)27-19(30-31)18-2-1-11-32-18/h1-11H,12-13H2,(H2,25,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50048014 (CHEMBL3314898) Show SMILES CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50137530 (CHEMBL3753079) Show SMILES O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50048031 (CHEMBL3314913) Show SMILES CCOC(=O)c1cnc(NCC(C)C)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(17-8-10(2)3)21-14(11)19-13(20-21)12-6-5-7-24-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair

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