Compile Data Set for Download or QSAR

Found 1056 hits with Last Name = 'hockemeyer' and Initial = 'j'   

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))	BDBM50511937 (CHEMBL4552275) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C24H25BrN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.0835	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50494549 (CHEMBL3093327) Show SMILES [H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)| Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)/t8-,9-,10-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to rat adenosine A1 receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Mus musculus)	BDBM50511937 (CHEMBL4552275) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C24H25BrN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511960 (CHEMBL4450864) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1Br Show InChI InChI=1S/C24H25BrN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-7-9-17(10-8-16)36(34,35)30-14-12-29(13-15-30)19-6-4-3-5-18(19)25/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511968 (CHEMBL4464522) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1 Show InChI InChI=1S/C25H27BrN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511950 (CHEMBL4540206) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H27BrN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511961 (CHEMBL4454481) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(I)cc1 Show InChI InChI=1S/C24H25IN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511946 (CHEMBL4463929) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(OC)c1 Show InChI InChI=1S/C25H27ClN6O5S/c1-3-10-32-24(33)21-23(29-25(32)34)28-22(27-21)16-4-7-18(8-5-16)38(35,36)31-13-11-30(12-14-31)17-6-9-19(26)20(15-17)37-2/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511973 (CHEMBL4466625) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(Br)c1 Show InChI InChI=1S/C24H25BrN6O4S/c1-2-10-31-23(32)20-22(28-24(31)33)27-21(26-20)16-6-8-19(9-7-16)36(34,35)30-13-11-29(12-14-30)18-5-3-4-17(25)15-18/h3-9,15H,2,10-14H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511955 (CHEMBL4567785) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)N=[N+]=[N-])CC1 Show InChI InChI=1S/C25H27N9O4S/c1-2-11-34-24(35)21-23(29-25(34)36)28-22(27-21)18-5-9-20(10-6-18)39(37,38)33-14-12-32(13-15-33)16-17-3-7-19(8-4-17)30-31-26/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511952 (CHEMBL4460114) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-10-31-23(32)20-22(28-24(31)33)27-21(26-20)16-6-8-19(9-7-16)36(34,35)30-13-11-29(12-14-30)18-5-3-4-17(25)15-18/h3-9,15H,2,10-14H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511964 (CHEMBL4530074) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)c(Cl)c1 Show InChI InChI=1S/C25H27ClN6O5S/c1-3-10-32-24(33)21-23(29-25(32)34)28-22(27-21)16-4-7-18(8-5-16)38(35,36)31-13-11-30(12-14-31)17-6-9-20(37-2)19(26)15-17/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511948 (CHEMBL4440526) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(C)c2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-3-11-32-25(33)22-24(29-26(32)34)28-23(27-22)20-7-9-21(10-8-20)37(35,36)31-14-12-30(13-15-31)17-19-6-4-5-18(2)16-19/h4-10,16H,3,11-15,17H2,1-2H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.397	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511959 (CHEMBL4441276) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-7-9-17(10-8-16)36(34,35)30-14-12-29(13-15-30)19-6-4-3-5-18(19)25/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511947 (CHEMBL4454417) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(O)c1 Show InChI InChI=1S/C24H25ClN6O5S/c1-2-9-31-23(33)20-22(28-24(31)34)27-21(26-20)15-3-6-17(7-4-15)37(35,36)30-12-10-29(11-13-30)16-5-8-18(25)19(32)14-16/h3-8,14,32H,2,9-13H2,1H3,(H,26,27)(H,28,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.421	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511940 (CHEMBL4443090) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1C Show InChI InChI=1S/C25H28N6O4S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)18-8-10-19(11-9-18)36(34,35)30-15-13-29(14-16-30)20-7-5-4-6-17(20)2/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.432	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511957 (CHEMBL4566170) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 Show InChI InChI=1S/C25H26BrFN6O4S/c1-2-9-33-24(34)21-23(30-25(33)35)29-22(28-21)17-4-6-18(7-5-17)38(36,37)32-12-10-31(11-13-32)15-16-3-8-19(26)20(27)14-16/h3-8,14H,2,9-13,15H2,1H3,(H,28,29)(H,30,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.473	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511945 (CHEMBL4456096) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(OC)c1 Show InChI InChI=1S/C25H28N6O5S/c1-3-11-31-24(32)21-23(28-25(31)33)27-22(26-21)17-7-9-20(10-8-17)37(34,35)30-14-12-29(13-15-30)18-5-4-6-19(16-18)36-2/h4-10,16H,3,11-15H2,1-2H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.616	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511956 (CHEMBL4464175) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)c(OC)c2)CC1 Show InChI InChI=1S/C26H29FN6O5S/c1-3-10-33-25(34)22-24(30-26(33)35)29-23(28-22)18-5-7-19(8-6-18)39(36,37)32-13-11-31(12-14-32)16-17-4-9-20(27)21(15-17)38-2/h4-9,15H,3,10-14,16H2,1-2H3,(H,28,29)(H,30,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511949 (CHEMBL4466765) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(F)c1 Show InChI InChI=1S/C24H25FN6O4S/c1-2-10-31-23(32)20-22(28-24(31)33)27-21(26-20)16-6-8-19(9-7-16)36(34,35)30-13-11-29(12-14-30)18-5-3-4-17(25)15-18/h3-9,15H,2,10-14H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.632	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511944 (CHEMBL4572369) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H26N6O4S/c1-2-12-30-23(31)20-22(27-24(30)32)26-21(25-20)17-8-10-19(11-9-17)35(33,34)29-15-13-28(14-16-29)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.643	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511958 (CHEMBL4471205) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C24H25FN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.644	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50494549 (CHEMBL3093327) Show SMILES [H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)| Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)/t8-,9-,10-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511974 (CHEMBL4464738) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1 Show InChI InChI=1S/C25H28N6O4S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)18-6-10-20(11-7-18)36(34,35)30-15-13-29(14-16-30)19-8-4-17(2)5-9-19/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.706	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511951 (CHEMBL4453324) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 Show InChI InChI=1S/C26H29FN6O5S/c1-3-10-33-25(34)22-24(30-26(33)35)29-23(28-22)18-5-7-19(8-6-18)39(36,37)32-13-11-31(12-14-32)16-17-4-9-21(38-2)20(27)15-17/h4-9,15H,3,10-14,16H2,1-2H3,(H,28,29)(H,30,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.894	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]CCPA binding to adenosine A1 receptor				J Med Chem 48: 2108-14 (2005) Article DOI: 10.1021/jm049513x BindingDB Entry DOI: 10.7270/Q2154HVK
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Mus musculus)	BDBM50511968 (CHEMBL4464522) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1 Show InChI InChI=1S/C25H27BrN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.901	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Mus musculus)	BDBM50511949 (CHEMBL4466765) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(F)c1 Show InChI InChI=1S/C24H25FN6O4S/c1-2-10-31-23(32)20-22(28-24(31)33)27-21(26-20)16-6-8-19(9-7-16)36(34,35)30-13-11-29(12-14-30)18-5-3-4-17(25)15-18/h3-9,15H,2,10-14H2,1H3,(H,26,27)(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.926	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511972 (CHEMBL4467573) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cc(F)cc(OC)c2)CC1 Show InChI InChI=1S/C26H29FN6O5S/c1-3-8-33-25(34)22-24(30-26(33)35)29-23(28-22)18-4-6-21(7-5-18)39(36,37)32-11-9-31(10-12-32)16-17-13-19(27)15-20(14-17)38-2/h4-7,13-15H,3,8-12,16H2,1-2H3,(H,28,29)(H,30,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511963 (CHEMBL4556744) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)c(F)c1 Show InChI InChI=1S/C25H27FN6O5S/c1-3-10-32-24(33)21-23(29-25(32)34)28-22(27-21)16-4-7-18(8-5-16)38(35,36)31-13-11-30(12-14-31)17-6-9-20(37-2)19(26)15-17/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511970 (CHEMBL4437222) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(OC)c2)CC1 Show InChI InChI=1S/C26H30N6O5S/c1-3-11-32-25(33)22-24(29-26(32)34)28-23(27-22)19-7-9-21(10-8-19)38(35,36)31-14-12-30(13-15-31)17-18-5-4-6-20(16-18)37-2/h4-10,16H,3,11-15,17H2,1-2H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Mus musculus)	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant mouse A1 adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation ...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511967 (CHEMBL4473749) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCc1ccccc1 Show InChI InChI=1S/C23H25N5O4S/c1-3-14-28-22(29)19-21(26-23(28)30)25-20(24-19)17-9-11-18(12-10-17)33(31,32)27(2)15-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,24,25)(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511965 (CHEMBL4461478) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1F Show InChI InChI=1S/C24H24ClFN6O4S/c1-2-9-32-23(33)20-22(29-24(32)34)28-21(27-20)15-3-6-17(7-4-15)37(35,36)31-12-10-30(11-13-31)19-8-5-16(25)14-18(19)26/h3-8,14H,2,9-13H2,1H3,(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511941 (CHEMBL4537196) Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H27ClN6O4S/c1-3-12-32-24(33)21-23(29(2)25(32)34)28-22(27-21)17-4-10-20(11-5-17)37(35,36)31-15-13-30(14-16-31)19-8-6-18(26)7-9-19/h4-11H,3,12-16H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385/[125I]IABOPX from recombinant human A2B adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Mus musculus)	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillat...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511939 (CHEMBL4466211) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C24H25FN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-7-9-17(10-8-16)36(34,35)30-14-12-29(13-15-30)19-6-4-3-5-18(19)25/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511976 (CHEMBL4538468) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C24H25ClN6O5S/c1-2-9-31-23(33)20-22(28-24(31)34)27-21(26-20)15-3-6-17(7-4-15)37(35,36)30-12-10-29(11-13-30)16-5-8-19(32)18(25)14-16/h3-8,14,32H,2,9-13H2,1H3,(H,26,27)(H,28,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511953 (CHEMBL4582353) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C24H26N6O5S/c1-2-11-30-23(32)20-22(27-24(30)33)26-21(25-20)16-3-9-19(10-4-16)36(34,35)29-14-12-28(13-15-29)17-5-7-18(31)8-6-17/h3-10,31H,2,11-15H2,1H3,(H,25,26)(H,27,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511954 (CHEMBL4547661) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN6O4S/c1-3-13-33-25(34)22-24(32(4-2)26(33)35)29-23(28-22)18-5-11-21(12-6-18)38(36,37)31-16-14-30(15-17-31)20-9-7-19(27)8-10-20/h5-12H,3-4,13-17H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain after 60 mins by scintillation counting analysis				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50370631 (CHEMBL607303) Show SMILES CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14| Show InChI InChI=1S/C22H32N5O3/c1-6-11-25-19(28)16-18(24-17(23-16)14-9-7-8-10-14)26(20(25)29)13-15-12-21(2,3)27(30)22(15,4)5/h12,14H,6-11,13H2,1-5H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]CCPA binding to adenosine A1 receptor				J Med Chem 48: 2108-14 (2005) Article DOI: 10.1021/jm049513x BindingDB Entry DOI: 10.7270/Q2154HVK
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511962 (CHEMBL4543948) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26N6O5S/c1-2-12-31-24(33)20-22(28-25(31)34)27-21(26-20)17-8-10-19(11-9-17)37(35,36)30-15-13-29(14-16-30)23(32)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,26,27)(H,28,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511966 (CHEMBL4445941) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OCCO)cc1 Show InChI InChI=1S/C26H30N6O6S/c1-2-11-32-25(34)22-24(29-26(32)35)28-23(27-22)18-3-9-21(10-4-18)39(36,37)31-14-12-30(13-15-31)19-5-7-20(8-6-19)38-17-16-33/h3-10,33H,2,11-17H2,1H3,(H,27,28)(H,29,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511936 (CHEMBL4575279) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1 Show InChI InChI=1S/C30H38N6O7S/c1-3-12-36-29(37)26-28(33-30(36)38)32-27(31-26)23-6-10-25(11-7-23)44(39,40)35-15-13-34(14-16-35)21-22-4-8-24(9-5-22)43-20-19-42-18-17-41-2/h4-11H,3,12-21H2,1-2H3,(H,31,32)(H,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50511977 (CHEMBL4586090) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C(C)C1)c1ccccc1 Show InChI InChI=1S/C25H28N6O4S/c1-3-13-31-24(32)21-23(28-25(31)33)27-22(26-21)18-9-11-20(12-10-18)36(34,35)29-14-15-30(17(2)16-29)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair

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