Compile Data Set for Download or QSAR

Found 136 hits Enz. Inhib. hit(s) with all data for entry = 50034369   

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 A3 (Homo sapiens (Human))	BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM85618 (CHEMBL302765 | J1.251.181G | MRE 3008F20) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	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 human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					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
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361325 (CHEMBL1935752) Show SMILES Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C11H9N7O/c1-17-8-6(5-13-17)14-11(12)18-10(8)15-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361318 (CHEMBL1935745) Show SMILES Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361318 (CHEMBL1935745) Show SMILES Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361306 (CHEMBL1935762) Show SMILES Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361307 (CHEMBL1935763) Show SMILES Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-21-14-12-25(10-4-8-13-6-2-1-3-7-13)23-16(14)18-22-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361304 (CHEMBL1935760) Show SMILES Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1 Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361306 (CHEMBL1935762) Show SMILES Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361321 (CHEMBL1935748) Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361325 (CHEMBL1935752) Show SMILES Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C11H9N7O/c1-17-8-6(5-13-17)14-11(12)18-10(8)15-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361307 (CHEMBL1935763) Show SMILES Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-21-14-12-25(10-4-8-13-6-2-1-3-7-13)23-16(14)18-22-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361312 (CHEMBL1935768) Show SMILES Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C17H19N7O/c1-23-14-12(10-18-23)20-17(19-11-6-3-2-4-7-11)24-16(14)21-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,20)	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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361322 (CHEMBL1935749) Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C27H23N7O3/c1-36-20-11-9-19(10-12-20)28-27(35)31-26-29-22-17-33(14-13-18-6-3-2-4-7-18)16-21(22)25-30-24(32-34(25)26)23-8-5-15-37-23/h2-12,15-17H,13-14H2,1H3,(H2,28,29,31,35)	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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361326 (CHEMBL1935753) Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)	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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361323 (CHEMBL1935750) Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C28H25N7O3/c1-37-21-13-11-20(12-14-21)29-28(36)32-27-30-23-18-34(15-5-9-19-7-3-2-4-8-19)17-22(23)26-31-25(33-35(26)27)24-10-6-16-38-24/h2-4,6-8,10-14,16-18H,5,9,15H2,1H3,(H2,29,30,32,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361326 (CHEMBL1935753) Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361320 (CHEMBL1935747) Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C20H17N7O3/c1-26-10-14-15(11-26)22-19(24-20(28)21-12-5-7-13(29-2)8-6-12)27-18(14)23-17(25-27)16-4-3-9-30-16/h3-11H,1-2H3,(H2,21,22,24,28)	Reactome pathway KEGG UniProtKB/SwissProt 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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361305 (CHEMBL1935761) Show SMILES CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361319 (CHEMBL1935746) Show SMILES Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361316 (CHEMBL1935743) Show SMILES Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,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	20	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361330 (CHEMBL1935757) Show SMILES CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361305 (CHEMBL1935761) Show SMILES CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361317 (CHEMBL1935744) Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361304 (CHEMBL1935760) Show SMILES Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1 Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13)	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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361327 (CHEMBL1935754) Show SMILES Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361317 (CHEMBL1935744) Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)	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 Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361327 (CHEMBL1935754) Show SMILES Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361309 (CHEMBL1935765) Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)19-24-18(16-5-4-11-32-16)27-29(19)20(23-15)25-21(30)22-13-6-8-14(31-2)9-7-13/h4-9,11-12H,3,10H2,1-2H3,(H2,22,23,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361319 (CHEMBL1935746) Show SMILES Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361316 (CHEMBL1935743) Show SMILES Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,1H3,(H2,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361317 (CHEMBL1935744) Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)	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	60	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361329 (CHEMBL1935756) Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361330 (CHEMBL1935757) Show SMILES CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361329 (CHEMBL1935756) Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361326 (CHEMBL1935753) Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361328 (CHEMBL1935755) Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361316 (CHEMBL1935743) Show SMILES Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,1H3,(H2,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361308 (CHEMBL1935764) Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)17-22-16(14-4-3-9-30-14)25-27(17)18(21-13)23-19(28)20-11-5-7-12(29-2)8-6-11/h3-10H,1-2H3,(H2,20,21,23,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361324 (CHEMBL1935751) Show SMILES Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C18H14N8O2/c1-25-9-12-13(10-25)21-17(23-18(27)20-11-4-6-19-7-5-11)26-16(12)22-15(24-26)14-3-2-8-28-14/h2-10H,1H3,(H2,19,20,21,23,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361312 (CHEMBL1935768) Show SMILES Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C17H19N7O/c1-23-14-12(10-18-23)20-17(19-11-6-3-2-4-7-11)24-16(14)21-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,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	119	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361328 (CHEMBL1935755) Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361318 (CHEMBL1935745) Show SMILES Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361304 (CHEMBL1935760) Show SMILES Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1 Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	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 [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50361329 (CHEMBL1935756) Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	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 [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361323 (CHEMBL1935750) Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C28H25N7O3/c1-37-21-13-11-20(12-14-21)29-28(36)32-27-30-23-18-34(15-5-9-19-7-3-2-4-8-19)17-22(23)26-31-25(33-35(26)27)24-10-6-16-38-24/h2-4,6-8,10-14,16-18H,5,9,15H2,1H3,(H2,29,30,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	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 [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM85618 (CHEMBL302765 | J1.251.181G | MRE 3008F20) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	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	140	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 [3H]-SCH 58261 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 136 total )  |  Next  |  Last  >>

Jump to: