Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50001881   

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))	BDBM50449637 (CHEMBL4162638) Show SMILES Nc1nc(NCCc2cccnc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H20N2O2/c20-13-3-4-14-15(9-18-16(14)8-13)17(21)7-10-5-11-1-2-12(6-10)19-11/h3-4,8-12,18-20H,1-2,5-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449649 (CHEMBL4159215) Show SMILES Nc1nc(NCc2ccsc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5OS2/c15-11-10-13(22-12(17-10)9-2-1-4-20-9)19-14(18-11)16-6-8-3-5-21-7-8/h1-5,7H,6H2,(H3,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449650 (CHEMBL4167813) Show SMILES Nc1nc(NCc2ccccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H12N6OS/c16-12-11-14(23-13(19-11)10-5-3-7-22-10)21-15(20-12)18-8-9-4-1-2-6-17-9/h1-7H,8H2,(H3,16,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					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	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449638 (CHEMBL4162037) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1cccs1 Show InChI InChI=1S/C17H15N5OS2/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449642 (CHEMBL4167557) Show SMILES Nc1nc(NCCc2ccco2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H13N5O2S/c16-12-11-14(23-13(18-11)10-4-2-8-22-10)20-15(19-12)17-6-5-9-3-1-7-21-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449637 (CHEMBL4162638) Show SMILES Nc1nc(NCCc2cccnc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H20N2O2/c20-13-3-4-14-15(9-18-16(14)8-13)17(21)7-10-5-11-1-2-12(6-10)19-11/h3-4,8-12,18-20H,1-2,5-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449649 (CHEMBL4159215) Show SMILES Nc1nc(NCc2ccsc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5OS2/c15-11-10-13(22-12(17-10)9-2-1-4-20-9)19-14(18-11)16-6-8-3-5-21-7-8/h1-5,7H,6H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449640 (CHEMBL4172399) Show SMILES Nc1nc(NCc2ccco2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5O2S/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449652 (CHEMBL4172264) Show SMILES Nc1nc(NCCc2cccs2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H13N5OS2/c16-12-11-14(23-13(18-11)10-4-1-7-21-10)20-15(19-12)17-6-5-9-3-2-8-22-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449651 (CHEMBL4172818) Show SMILES Nc1nc(NCc2cnccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449642 (CHEMBL4167557) Show SMILES Nc1nc(NCCc2ccco2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H13N5O2S/c16-12-11-14(23-13(18-11)10-4-2-8-22-10)20-15(19-12)17-6-5-9-3-1-7-21-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449648 (CHEMBL4161758) Show SMILES Nc1nc(NCc2cccs2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5OS2/c15-11-10-13(22-12(17-10)9-4-1-5-20-9)19-14(18-11)16-7-8-3-2-6-21-8/h1-6H,7H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449634 (CHEMBL4167125) Show SMILES Nc1nc(NCc2cccnc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H21N3O2/c1-22-15-3-2-13-12(4-7-18-13)16(15)17(21)19-14-10-20-8-5-11(14)6-9-20/h2-4,7,11,14,18H,5-6,8-10H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449649 (CHEMBL4159215) Show SMILES Nc1nc(NCc2ccsc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5OS2/c15-11-10-13(22-12(17-10)9-2-1-4-20-9)19-14(18-11)16-6-8-3-5-21-7-8/h1-5,7H,6H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449643 (CHEMBL4168016) Show SMILES Nc1nc(NCc2cccs2)nc2sc(nc12)-c1cccs1 Show InChI InChI=1S/C14H11N5S3/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449635 (CHEMBL4175676) Show SMILES Nc1nc(NCc2ccncc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H19ClN4O/c18-13-8-12(16-11(15(13)19)2-1-5-20-16)17(23)21-14-9-22-6-3-10(14)4-7-22/h1-2,5,8,10,14H,3-4,6-7,9,19H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449648 (CHEMBL4161758) Show SMILES Nc1nc(NCc2cccs2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5OS2/c15-11-10-13(22-12(17-10)9-4-1-5-20-9)19-14(18-11)16-7-8-3-2-6-21-8/h1-6H,7H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449653 (CHEMBL4172715) Show SMILES Cc1ccc(o1)-c1nc2c(N)nc(NCc3cccs3)nc2s1 Show InChI InChI=1S/C15H13N5OS2/c1-8-4-5-10(21-8)13-18-11-12(16)19-15(20-14(11)23-13)17-7-9-3-2-6-22-9/h2-6H,7H2,1H3,(H3,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449638 (CHEMBL4162037) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1cccs1 Show InChI InChI=1S/C17H15N5OS2/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449634 (CHEMBL4167125) Show SMILES Nc1nc(NCc2cccnc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H21N3O2/c1-22-15-3-2-13-12(4-7-18-13)16(15)17(21)19-14-10-20-8-5-11(14)6-9-20/h2-4,7,11,14,18H,5-6,8-10H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449639 (CHEMBL4168980) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccc(C)o1 Show InChI InChI=1S/C18H17N5O2S/c1-10-7-8-13(25-10)16-21-14-15(19)22-18(23-17(14)26-16)20-9-11-5-3-4-6-12(11)24-2/h3-8H,9H2,1-2H3,(H3,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449641 (CHEMBL4175878) Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2cccs2)c1 Show InChI InChI=1S/C17H15N5OS2/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449642 (CHEMBL4167557) Show SMILES Nc1nc(NCCc2ccco2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H13N5O2S/c16-12-11-14(23-13(18-11)10-4-2-8-22-10)20-15(19-12)17-6-5-9-3-1-7-21-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449651 (CHEMBL4172818) Show SMILES Nc1nc(NCc2cnccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449650 (CHEMBL4167813) Show SMILES Nc1nc(NCc2ccccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H12N6OS/c16-12-11-14(23-13(19-11)10-5-3-7-22-10)21-15(20-12)18-8-9-4-1-2-6-17-9/h1-7H,8H2,(H3,16,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449639 (CHEMBL4168980) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccc(C)o1 Show InChI InChI=1S/C18H17N5O2S/c1-10-7-8-13(25-10)16-21-14-15(19)22-18(23-17(14)26-16)20-9-11-5-3-4-6-12(11)24-2/h3-8H,9H2,1-2H3,(H3,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449653 (CHEMBL4172715) Show SMILES Cc1ccc(o1)-c1nc2c(N)nc(NCc3cccs3)nc2s1 Show InChI InChI=1S/C15H13N5OS2/c1-8-4-5-10(21-8)13-18-11-12(16)19-15(20-14(11)23-13)17-7-9-3-2-6-22-9/h2-6H,7H2,1H3,(H3,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449641 (CHEMBL4175878) Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2cccs2)c1 Show InChI InChI=1S/C17H15N5OS2/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449640 (CHEMBL4172399) Show SMILES Nc1nc(NCc2ccco2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5O2S/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449643 (CHEMBL4168016) Show SMILES Nc1nc(NCc2cccs2)nc2sc(nc12)-c1cccs1 Show InChI InChI=1S/C14H11N5S3/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449635 (CHEMBL4175676) Show SMILES Nc1nc(NCc2ccncc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H19ClN4O/c18-13-8-12(16-11(15(13)19)2-1-5-20-16)17(23)21-14-9-22-6-3-10(14)4-7-22/h1-2,5,8,10,14H,3-4,6-7,9,19H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449650 (CHEMBL4167813) Show SMILES Nc1nc(NCc2ccccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H12N6OS/c16-12-11-14(23-13(19-11)10-5-3-7-22-10)21-15(20-12)18-8-9-4-1-2-6-17-9/h1-7H,8H2,(H3,16,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449652 (CHEMBL4172264) Show SMILES Nc1nc(NCCc2cccs2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H13N5OS2/c16-12-11-14(23-13(18-11)10-4-1-7-21-10)20-15(19-12)17-6-5-9-3-2-8-22-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449654 (CHEMBL4165484) Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccc(C)o2)c1 Show InChI InChI=1S/C18H17N5O2S/c1-10-6-7-13(25-10)16-21-14-15(19)22-18(23-17(14)26-16)20-9-11-4-3-5-12(8-11)24-2/h3-8H,9H2,1-2H3,(H3,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449653 (CHEMBL4172715) Show SMILES Cc1ccc(o1)-c1nc2c(N)nc(NCc3cccs3)nc2s1 Show InChI InChI=1S/C15H13N5OS2/c1-8-4-5-10(21-8)13-18-11-12(16)19-15(20-14(11)23-13)17-7-9-3-2-6-22-9/h2-6H,7H2,1H3,(H3,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50449643 (CHEMBL4168016) Show SMILES Nc1nc(NCc2cccs2)nc2sc(nc12)-c1cccs1 Show InChI InChI=1S/C14H11N5S3/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449639 (CHEMBL4168980) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccc(C)o1 Show InChI InChI=1S/C18H17N5O2S/c1-10-7-8-13(25-10)16-21-14-15(19)22-18(23-17(14)26-16)20-9-11-5-3-4-6-12(11)24-2/h3-8H,9H2,1-2H3,(H3,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449654 (CHEMBL4165484) Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccc(C)o2)c1 Show InChI InChI=1S/C18H17N5O2S/c1-10-6-7-13(25-10)16-21-14-15(19)22-18(23-17(14)26-16)20-9-11-4-3-5-12(8-11)24-2/h3-8H,9H2,1-2H3,(H3,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449651 (CHEMBL4172818) Show SMILES Nc1nc(NCc2cnccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449654 (CHEMBL4165484) Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccc(C)o2)c1 Show InChI InChI=1S/C18H17N5O2S/c1-10-6-7-13(25-10)16-21-14-15(19)22-18(23-17(14)26-16)20-9-11-4-3-5-12(8-11)24-2/h3-8H,9H2,1-2H3,(H3,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449637 (CHEMBL4162638) Show SMILES Nc1nc(NCCc2cccnc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H20N2O2/c20-13-3-4-14-15(9-18-16(14)8-13)17(21)7-10-5-11-1-2-12(6-10)19-11/h3-4,8-12,18-20H,1-2,5-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449638 (CHEMBL4162037) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1cccs1 Show InChI InChI=1S/C17H15N5OS2/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449641 (CHEMBL4175878) Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2cccs2)c1 Show InChI InChI=1S/C17H15N5OS2/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	674	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50449635 (CHEMBL4175676) Show SMILES Nc1nc(NCc2ccncc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H19ClN4O/c18-13-8-12(16-11(15(13)19)2-1-5-20-16)17(23)21-14-9-22-6-3-10(14)4-7-22/h1-2,5,8,10,14H,3-4,6-7,9,19H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	827	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449640 (CHEMBL4172399) Show SMILES Nc1nc(NCc2ccco2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5O2S/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449648 (CHEMBL4161758) Show SMILES Nc1nc(NCc2cccs2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N5OS2/c15-11-10-13(22-12(17-10)9-4-1-5-20-9)19-14(18-11)16-7-8-3-2-6-21-8/h1-6H,7H2,(H3,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00170	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449652 (CHEMBL4172264) Show SMILES Nc1nc(NCCc2cccs2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C15H13N5OS2/c16-12-11-14(23-13(18-11)10-4-1-7-21-10)20-15(19-12)17-6-5-9-3-2-8-22-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00640	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair

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