Compile Data Set for Download or QSAR

Found 458 hits with Last Name = 'dionisotti' 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))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 7-10 (1999) Article DOI: 10.1007/pl00005326 BindingDB Entry DOI: 10.7270/Q24F1P91
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 7-10 (1999) Article DOI: 10.1007/pl00005326 BindingDB Entry DOI: 10.7270/Q24F1P91
					More data for this Ligand-Target Pair
Adenosine receptor A2a (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 7-10 (1999) Article DOI: 10.1007/pl00005326 BindingDB Entry DOI: 10.7270/Q24F1P91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454422 (CHEMBL2113525) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454421 (CHEMBL2113529) Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50369168 (CHEMBL608918) Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369168 (CHEMBL608918) Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from cloned rat Adenosine A3 receptor in stably transfected CHO cells				J Med Chem 39: 802-6 (1996) Article DOI: 10.1021/jm950518r BindingDB Entry DOI: 10.7270/Q228089B
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissplacement of [3H]-CGS- from Adenosine A2a receptor of rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454091 (CHEMBL2113450) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454091 (CHEMBL2113450) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.				J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand.				J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand				J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50007848 (8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1 Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454423 (CHEMBL2113528) Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50369097 (CHEMBL604851) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1 |r| Show InChI InChI=1S/C21H22N6O4/c1-2-23-20(30)17-15(28)16(29)21(31-17)27-11-24-14-18(22)25-13(26-19(14)27)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,9H2,1H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.				J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50064695 (4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...) Show SMILES Nc1nc2n(CCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O2/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-27-14)10-20-24(16)8-7-11-3-5-12(26)6-4-11/h1-6,9-10,26H,7-8H2,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50094688 (2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C15H17N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50094688 (2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C15H17N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.				J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119168 ((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051241 (2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...) Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051241 (2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...) Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051242 (8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051242 (8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50283532 (2-(4-Fluoro-benzyl)-8-furan-2-yl-2H-[1,2,3]triazol...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)nc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H11FN8O/c17-10-5-3-9(4-6-10)8-24-21-12-14(22-24)20-16(18)25-15(12)19-13(23-25)11-2-1-7-26-11/h1-7H,8H2,(H2,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	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 ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453347 (CHEMBL2094083) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 |r| Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand				J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064702 (7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC Show InChI InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453356 (CHEMBL2113405) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)CC(C)C |r| Show InChI InChI=1S/C20H28N6O5/c1-5-22-18(29)15-13(27)14(28)19(31-15)26-9-23-12-16(21)24-11(25-17(12)26)6-7-20(4,30)8-10(2)3/h9-10,13-15,19,27-28,30H,5,8H2,1-4H3,(H,22,29)(H2,21,24,25)/t13-,14+,15-,19+,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand				J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064696 (7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...) Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)	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
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454426 (CHEMBL2304158) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12 Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8+/t17-,18+,19-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.				J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50064696 (7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...) Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453365 (CHEMBL2113404) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1(O)CCCC1 |r| Show InChI InChI=1S/C19H24N6O5/c1-2-21-17(28)14-12(26)13(27)18(30-14)25-9-22-11-15(20)23-10(24-16(11)25)5-8-19(29)6-3-4-7-19/h9,12-14,18,26-27,29H,2-4,6-7H2,1H3,(H,21,28)(H2,20,23,24)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand				J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50369091 (CHEMBL604019) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCCCC1 |r| Show InChI InChI=1S/C20H27N7O4/c1-2-22-19(30)16-14(28)15(29)20(31-16)27-11-23-13-17(21)24-12(25-18(13)27)7-6-10-26-8-4-3-5-9-26/h11,14-16,20,28-29H,2-5,8-10H2,1H3,(H,22,30)(H2,21,24,25)/t14-,15+,16-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.				J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX
					More data for this Ligand-Target Pair

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