Compile Data Set for Download or QSAR

Found 528 hits with Last Name = 'rafehi' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534182 (CHEMBL4554778) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	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 from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534190 (CHEMBL4582207) Show SMILES Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-11-10-24(12-15(25)21-17)9-3-4-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534179 (CHEMBL4483392) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-7-6-26(10-15(27)23-17)9-14-11-30-18(22-14)12-4-3-5-13(21)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534182 (CHEMBL4554778) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	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]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534166 (CHEMBL4560229) Show SMILES Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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]CCPA from rat A1 receptor by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534172 (CHEMBL4451303) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H23N5O2/c1-22-18-17(19(26)23(2)20(22)27)25-11-10-24(12-16(25)21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,15H,5,7,9-12H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534174 (CHEMBL4540395) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H18N6O2S2/c1-21-15-14(17(25)22(2)18(21)26)24-6-5-23(9-13(24)20-15)8-11-10-28-16(19-11)12-4-3-7-27-12/h3-4,7,10H,5-6,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	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 from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534162 (CHEMBL4556578) Show SMILES Cn1c2nc3CN(CCc4ccc(Cl)cc4C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H19ClF3N5O2/c1-25-16-15(17(29)26(2)18(25)30)28-8-7-27(10-14(28)24-16)6-5-11-3-4-12(20)9-13(11)19(21,22)23/h3-4,9H,5-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	138	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]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534175 (CHEMBL4549506) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H19F3N6O2S/c1-27-17-16(19(31)28(2)20(27)32)30-8-7-29(10-15(30)26-17)9-14-11-33-18(25-14)12-3-5-13(6-4-12)21(22,23)24/h3-6,11H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534179 (CHEMBL4483392) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-7-6-26(10-15(27)23-17)9-14-11-30-18(22-14)12-4-3-5-13(21)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534174 (CHEMBL4540395) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H18N6O2S2/c1-21-15-14(17(25)22(2)18(21)26)24-6-5-23(9-13(24)20-15)8-11-10-28-16(19-11)12-4-3-7-27-12/h3-4,7,10H,5-6,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	166	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]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50534174 (CHEMBL4540395) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H18N6O2S2/c1-21-15-14(17(25)22(2)18(21)26)24-6-5-23(9-13(24)20-15)8-11-10-28-16(19-11)12-4-3-7-27-12/h3-4,7,10H,5-6,8-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	203	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 from human A2A receptor measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50534175 (CHEMBL4549506) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H19F3N6O2S/c1-27-17-16(19(31)28(2)20(27)32)30-8-7-29(10-15(30)26-17)9-14-11-33-18(25-14)12-3-5-13(6-4-12)21(22,23)24/h3-6,11H,7-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	217	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 from human A2A receptor measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50534190 (CHEMBL4582207) Show SMILES Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-11-10-24(12-15(25)21-17)9-3-4-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	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 from human A2A receptor measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534175 (CHEMBL4549506) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H19F3N6O2S/c1-27-17-16(19(31)28(2)20(27)32)30-8-7-29(10-15(30)26-17)9-14-11-33-18(25-14)12-3-5-13(6-4-12)21(22,23)24/h3-6,11H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	236	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534166 (CHEMBL4560229) Show SMILES Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	265	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534159 (CHEMBL4574304) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1CCc2ccccc12 Show InChI InChI=1S/C19H21N5O2/c1-21-17-16(18(25)22(2)19(21)26)24-10-9-23(11-15(24)20-17)14-8-7-12-5-3-4-6-13(12)14/h3-6,14H,7-11H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534201 (CHEMBL4552824) Show SMILES Cn1c2nc3CN(CCc4cc(ccc4F)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H19F4N5O2/c1-25-16-15(17(29)26(2)18(25)30)28-8-7-27(10-14(28)24-16)6-5-11-9-12(19(21,22)23)3-4-13(11)20/h3-4,9H,5-8,10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534163 (CHEMBL4461040) Show SMILES Cn1c2nc3CN(CCc4ccccc4F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O2/c1-21-16-15(17(25)22(2)18(21)26)24-10-9-23(11-14(24)20-16)8-7-12-5-3-4-6-13(12)19/h3-6H,7-11H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534198 (CHEMBL4518442) Show SMILES Cn1c2nc3CN(CCCc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H23N5O2/c1-21-17-16(18(25)22(2)19(21)26)24-12-11-23(13-15(24)20-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534176 (CHEMBL4447494) Show SMILES Cn1c2nc3CN(CC#N)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C12H14N6O2/c1-15-10-9(11(19)16(2)12(15)20)18-6-5-17(4-3-13)7-8(18)14-10/h4-7H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534153 (CHEMBL4465423) Show SMILES Cn1c2nc3CN(CCc4cccc(F)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O2/c1-21-16-15(17(25)22(2)18(21)26)24-9-8-23(11-14(24)20-16)7-6-12-4-3-5-13(19)10-12/h3-5,10H,6-9,11H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534199 (CHEMBL4534266) Show SMILES Cn1c2nc3CN(CCc4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H19N5O2S/c1-18-14-13(15(22)19(2)16(18)23)21-8-7-20(10-12(21)17-14)6-5-11-4-3-9-24-11/h3-4,9H,5-8,10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534194 (CHEMBL4515367) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C19H21N5O2/c1-21-17-16(18(25)22(2)19(21)26)24-10-9-23(11-15(24)20-17)14-8-7-12-5-3-4-6-13(12)14/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534172 (CHEMBL4451303) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H23N5O2/c1-22-18-17(19(26)23(2)20(22)27)25-11-10-24(12-16(25)21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,15H,5,7,9-12H2,1-2H3/t15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534202 (CHEMBL4450570) Show SMILES Cn1c2nc3CN(CCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20BrN5O2/c1-21-16-15(17(25)22(2)18(21)26)24-9-8-23(11-14(24)20-16)7-6-12-4-3-5-13(19)10-12/h3-5,10H,6-9,11H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534177 (CHEMBL4579360) Show SMILES Cn1c2nc3CN(CCOc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H21N5O3/c1-20-16-15(17(24)21(2)18(20)25)23-9-8-22(12-14(23)19-16)10-11-26-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534190 (CHEMBL4582207) Show SMILES Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-11-10-24(12-15(25)21-17)9-3-4-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	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 from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534178 (CHEMBL4548500) Show SMILES Cn1c2nc3CN(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17Cl2N5O2/c1-21-15-14(16(25)22(2)17(21)26)24-6-5-23(9-13(24)20-15)8-10-3-4-11(18)12(19)7-10/h3-4,7H,5-6,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	322	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 from rat A1 receptor measured after 75 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50534182 (CHEMBL4554778) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	346	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 from human A2A receptor measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534178 (CHEMBL4548500) Show SMILES Cn1c2nc3CN(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17Cl2N5O2/c1-21-15-14(16(25)22(2)17(21)26)24-6-5-23(9-13(24)20-15)8-10-3-4-11(18)12(19)7-10/h3-4,7H,5-6,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	351	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]CCPA from rat A1 receptor by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534190 (CHEMBL4582207) Show SMILES Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-11-10-24(12-15(25)21-17)9-3-4-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	352	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]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534175 (CHEMBL4549506) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H19F3N6O2S/c1-27-17-16(19(31)28(2)20(27)32)30-8-7-29(10-15(30)26-17)9-14-11-33-18(25-14)12-3-5-13(6-4-12)21(22,23)24/h3-6,11H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	355	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 from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50534179 (CHEMBL4483392) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-7-6-26(10-15(27)23-17)9-14-11-30-18(22-14)12-4-3-5-13(21)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	363	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 from human A2A receptor measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534172 (CHEMBL4451303) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H23N5O2/c1-22-18-17(19(26)23(2)20(22)27)25-11-10-24(12-16(25)21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,15H,5,7,9-12H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	393	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534188 (CHEMBL4474238) Show SMILES Cn1c2nc3CN(CCc4ccc(Cl)cc4Cl)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H19Cl2N5O2/c1-22-16-15(17(26)23(2)18(22)27)25-8-7-24(10-14(25)21-16)6-5-11-3-4-12(19)9-13(11)20/h3-4,9H,5-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	416	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]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534179 (CHEMBL4483392) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-7-6-26(10-15(27)23-17)9-14-11-30-18(22-14)12-4-3-5-13(21)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	437	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]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534184 (CHEMBL4567470) Show SMILES Cn1c2nc3CN(CCCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22BrN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-10-9-24(12-15(25)21-17)8-4-6-13-5-3-7-14(20)11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	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 from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534182 (CHEMBL4554778) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	492	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534172 (CHEMBL4451303) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H23N5O2/c1-22-18-17(19(26)23(2)20(22)27)25-11-10-24(12-16(25)21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,15H,5,7,9-12H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	510	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 from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50534184 (CHEMBL4567470) Show SMILES Cn1c2nc3CN(CCCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22BrN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-10-9-24(12-15(25)21-17)8-4-6-13-5-3-7-14(20)11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	512	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 from human A2A receptor measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534162 (CHEMBL4556578) Show SMILES Cn1c2nc3CN(CCc4ccc(Cl)cc4C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H19ClF3N5O2/c1-25-16-15(17(29)26(2)18(25)30)28-8-7-27(10-14(28)24-16)6-5-11-3-4-12(20)9-13(11)19(21,22)23/h3-4,9H,5-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	553	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534168 (CHEMBL4442891) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H16ClN5O2/c1-19-14-13(15(23)20(2)16(19)24)22-7-6-21(9-12(22)18-14)11-5-3-4-10(17)8-11/h3-5,8H,6-7,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	557	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 from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50534172 (CHEMBL4451303) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H23N5O2/c1-22-18-17(19(26)23(2)20(22)27)25-11-10-24(12-16(25)21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,15H,5,7,9-12H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	595	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 from human A2A receptor measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534166 (CHEMBL4560229) Show SMILES Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	598	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 from rat A1 receptor measured after 75 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534174 (CHEMBL4540395) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H18N6O2S2/c1-21-15-14(17(25)22(2)18(21)26)24-6-5-23(9-13(24)20-15)8-11-10-28-16(19-11)12-4-3-7-27-12/h3-4,7,10H,5-6,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	642	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534178 (CHEMBL4548500) Show SMILES Cn1c2nc3CN(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17Cl2N5O2/c1-21-15-14(16(25)22(2)17(21)26)24-6-5-23(9-13(24)20-15)8-10-3-4-11(18)12(19)7-10/h3-4,7H,5-6,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	791	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]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534182 (CHEMBL4554778) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534189 (CHEMBL4444119) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccccc1 Show InChI InChI=1S/C16H17N5O2/c1-18-14-13(15(22)19(2)16(18)23)21-9-8-20(10-12(21)17-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534168 (CHEMBL4442891) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H16ClN5O2/c1-19-14-13(15(23)20(2)16(19)24)22-7-6-21(9-12(22)18-14)11-5-3-4-10(17)8-11/h3-5,8H,6-7,9H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	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]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair

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