Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50038380   

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 A2b (Homo sapiens (Human))	BDBM50229885 (CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375624 (CHEMBL258571) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375620 (CHEMBL412284) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)cc2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-11-29-22-20(23(33)30(12-6-2)24(29)34)26-21(27-22)18-13-15(3)31(28-18)14-19(32)25-16-7-9-17(35-4)10-8-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)	PDB NCI pathway 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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375625 (CHEMBL261809) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(F)cc2)n1 Show InChI InChI=1S/C23H26FN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway 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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375637 (CHEMBL261810) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccccc2)n1 Show InChI InChI=1S/C23H27N7O3/c1-4-11-28-21-19(22(32)29(12-5-2)23(28)33)25-20(26-21)17-13-15(3)30(27-17)14-18(31)24-16-9-7-6-8-10-16/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,24,31)(H,25,26)	PDB NCI pathway 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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375629 (CHEMBL258987) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H24ClN7O3/c1-3-10-29-20-18(21(32)30(11-4-2)22(29)33)25-19(26-20)16-9-12-28(27-16)13-17(31)24-15-7-5-14(23)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,31)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375634 (CHEMBL258473) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-9-29-21-19(22(33)30(10-5-2)23(29)34)26-20(27-21)17-11-14(3)31(28-17)13-18(32)25-16-8-6-7-15(24)12-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375622 (CHEMBL261027) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(I)cc2)n1 Show InChI InChI=1S/C23H26IN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375623 (CHEMBL259177) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Br)cc2)n1 Show InChI InChI=1S/C23H26BrN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway 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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375633 (CHEMBL410895) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-8-30-21-19(22(34)31(9-5-2)23(30)35)27-20(28-21)17-10-13(3)32(29-17)12-18(33)26-14-6-7-15(24)16(25)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375632 (CHEMBL438938) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)c(C)c2)n1 Show InChI InChI=1S/C25H31N7O3/c1-6-10-30-23-21(24(34)31(11-7-2)25(30)35)27-22(28-23)19-13-17(5)32(29-19)14-20(33)26-18-9-8-15(3)16(4)12-18/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375621 (CHEMBL261028) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C24H29N7O3/c1-5-11-29-22-20(23(33)30(12-6-2)24(29)34)26-21(27-22)18-13-16(4)31(28-18)14-19(32)25-17-9-7-15(3)8-10-17/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375635 (CHEMBL409736) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)c(OC)c2)n1 Show InChI InChI=1S/C25H31N7O5/c1-6-10-30-23-21(24(34)31(11-7-2)25(30)35)27-22(28-23)17-12-15(3)32(29-17)14-20(33)26-16-8-9-18(36-4)19(13-16)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375636 (CHEMBL430044) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(OC)c2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-10-29-22-20(23(33)30(11-6-2)24(29)34)26-21(27-22)18-12-15(3)31(28-18)14-19(32)25-16-8-7-9-17(13-16)35-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375629 (CHEMBL258987) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H24ClN7O3/c1-3-10-29-20-18(21(32)30(11-4-2)22(29)33)25-19(26-20)16-9-12-28(27-16)13-17(31)24-15-7-5-14(23)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,31)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50229885 (CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375628 (CHEMBL258755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375627 (CHEMBL260153) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Br Show InChI InChI=1S/C23H25BrClN7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(24)13(3)32(29-18)12-16(33)26-15-8-6-14(25)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375637 (CHEMBL261810) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccccc2)n1 Show InChI InChI=1S/C23H27N7O3/c1-4-11-28-21-19(22(32)29(12-5-2)23(28)33)25-20(26-21)17-13-15(3)30(27-17)14-18(31)24-16-9-7-6-8-10-16/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,24,31)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375636 (CHEMBL430044) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(OC)c2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-10-29-22-20(23(33)30(11-6-2)24(29)34)26-21(27-22)18-12-15(3)31(28-18)14-19(32)25-16-8-7-9-17(13-16)35-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375625 (CHEMBL261809) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(F)cc2)n1 Show InChI InChI=1S/C23H26FN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375634 (CHEMBL258473) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-9-29-21-19(22(33)30(10-5-2)23(29)34)26-20(27-21)17-11-14(3)31(28-17)13-18(32)25-16-8-6-7-15(24)12-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	675	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375633 (CHEMBL410895) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-8-30-21-19(22(34)31(9-5-2)23(30)35)27-20(28-21)17-10-13(3)32(29-17)12-18(33)26-14-6-7-15(24)16(25)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375635 (CHEMBL409736) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)c(OC)c2)n1 Show InChI InChI=1S/C25H31N7O5/c1-6-10-30-23-21(24(34)31(11-7-2)25(30)35)27-22(28-23)17-12-15(3)32(29-17)14-20(33)26-16-8-9-18(36-4)19(13-16)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375636 (CHEMBL430044) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(OC)c2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-10-29-22-20(23(33)30(11-6-2)24(29)34)26-21(27-22)18-12-15(3)31(28-18)14-19(32)25-16-8-7-9-17(13-16)35-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,25,32)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375621 (CHEMBL261028) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C24H29N7O3/c1-5-11-29-22-20(23(33)30(12-6-2)24(29)34)26-21(27-22)18-13-16(4)31(28-18)14-19(32)25-17-9-7-15(3)8-10-17/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375624 (CHEMBL258571) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50375626 (CHEMBL410285) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1I Show InChI InChI=1S/C23H25ClIN7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,26,33)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50375629 (CHEMBL258987) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H24ClN7O3/c1-3-10-29-20-18(21(32)30(11-4-2)22(29)33)25-19(26-20)16-9-12-28(27-16)13-17(31)24-15-7-5-14(23)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,31)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50375632 (CHEMBL438938) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)c(C)c2)n1 Show InChI InChI=1S/C25H31N7O3/c1-6-10-30-23-21(24(34)31(11-7-2)25(30)35)27-22(28-23)19-13-17(5)32(29-19)14-20(33)26-18-9-8-15(3)16(4)12-18/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50375636 (CHEMBL430044) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(OC)c2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-10-29-22-20(23(33)30(11-6-2)24(29)34)26-21(27-22)18-12-15(3)31(28-18)14-19(32)25-16-8-7-9-17(13-16)35-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50375620 (CHEMBL412284) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)cc2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-11-29-22-20(23(33)30(12-6-2)24(29)34)26-21(27-22)18-13-15(3)31(28-18)14-19(32)25-16-7-9-17(35-4)10-8-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50375623 (CHEMBL259177) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Br)cc2)n1 Show InChI InChI=1S/C23H26BrN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375619 (CHEMBL264689) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(cc2)N(C)C)n1 Show InChI InChI=1S/C25H32N8O3/c1-6-12-31-23-21(24(35)32(13-7-2)25(31)36)27-22(28-23)19-14-16(3)33(29-19)15-20(34)26-17-8-10-18(11-9-17)30(4)5/h8-11,14H,6-7,12-13,15H2,1-5H3,(H,26,34)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375618 (CHEMBL410298) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(CC(C)C)cc2)n1 Show InChI InChI=1S/C27H35N7O3/c1-6-12-32-25-23(26(36)33(13-7-2)27(32)37)29-24(30-25)21-15-18(5)34(31-21)16-22(35)28-20-10-8-19(9-11-20)14-17(3)4/h8-11,15,17H,6-7,12-14,16H2,1-5H3,(H,28,35)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375619 (CHEMBL264689) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(cc2)N(C)C)n1 Show InChI InChI=1S/C25H32N8O3/c1-6-12-31-23-21(24(35)32(13-7-2)25(31)36)27-22(28-23)19-14-16(3)33(29-19)15-20(34)26-17-8-10-18(11-9-17)30(4)5/h8-11,14H,6-7,12-13,15H2,1-5H3,(H,26,34)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375620 (CHEMBL412284) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)cc2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-11-29-22-20(23(33)30(12-6-2)24(29)34)26-21(27-22)18-13-15(3)31(28-18)14-19(32)25-16-7-9-17(35-4)10-8-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375621 (CHEMBL261028) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C24H29N7O3/c1-5-11-29-22-20(23(33)30(12-6-2)24(29)34)26-21(27-22)18-13-16(4)31(28-18)14-19(32)25-17-9-7-15(3)8-10-17/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375622 (CHEMBL261027) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(I)cc2)n1 Show InChI InChI=1S/C23H26IN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375623 (CHEMBL259177) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Br)cc2)n1 Show InChI InChI=1S/C23H26BrN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375624 (CHEMBL258571) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-10-29-21-19(22(33)30(11-5-2)23(29)34)26-20(27-21)17-12-14(3)31(28-17)13-18(32)25-16-8-6-15(24)7-9-16/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50229885 (CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)	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	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)	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	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375626 (CHEMBL410285) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1I Show InChI InChI=1S/C23H25ClIN7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,26,33)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375627 (CHEMBL260153) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Br Show InChI InChI=1S/C23H25BrClN7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(24)13(3)32(29-18)12-16(33)26-15-8-6-14(25)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,26,33)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375628 (CHEMBL258755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,26,33)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375629 (CHEMBL258987) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H24ClN7O3/c1-3-10-29-20-18(21(32)30(11-4-2)22(29)33)25-19(26-20)16-9-12-28(27-16)13-17(31)24-15-7-5-14(23)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,31)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375630 (CHEMBL409685) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H28ClN7O3/c1-4-11-30-22-20(23(34)31(12-5-2)24(30)35)27-21(28-22)18-13-17(6-3)32(29-18)14-19(33)26-16-9-7-15(25)8-10-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,26,33)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375631 (CHEMBL409882) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc3ccccc23)n1 Show InChI InChI=1S/C27H29N7O3/c1-4-13-32-25-23(26(36)33(14-5-2)27(32)37)29-24(30-25)21-15-17(3)34(31-21)16-22(35)28-20-12-8-10-18-9-6-7-11-19(18)20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,35)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 108 total )  |  Next  |  Last  >>

Jump to: