Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50037881   

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 A1 (Homo sapiens (Human))	BDBM50205585 ((2S,3S,4R,5R)-N-ethyl-5-(6-(4-(2-(4-fluorophenylam...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26FN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205580 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-chlorophenylamino)-2-o...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26ClN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205587 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26BrN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205586 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O7/c1-3-28-26(38)23-21(36)22(37)27(41-23)34-14-31-20-24(29-13-30-25(20)34)33-16-6-10-18(11-7-16)40-12-19(35)32-15-4-8-17(39-2)9-5-15/h4-11,13-14,21-23,27,36-37H,3,12H2,1-2H3,(H,28,38)(H,32,35)(H,29,30,33)/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205588 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26IN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205593 ((2S,3S,4R,5R)-5-(6-(4-(2-(3,4-dimethoxyphenylamino...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)c(OC)c4)cc3)ncnc12 Show InChI InChI=1S/C28H31N7O8/c1-4-29-27(39)24-22(37)23(38)28(43-24)35-14-32-21-25(30-13-31-26(21)35)34-15-5-8-17(9-6-15)42-12-20(36)33-16-7-10-18(40-2)19(11-16)41-3/h5-11,13-14,22-24,28,37-38H,4,12H2,1-3H3,(H,29,39)(H,33,36)(H,30,31,34)/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205584 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzo[d][1,3]dioxol-5-yl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc5OCOc5c4)cc3)ncnc12 Show InChI InChI=1S/C27H27N7O8/c1-2-28-26(38)23-21(36)22(37)27(42-23)34-12-31-20-24(29-11-30-25(20)34)33-14-3-6-16(7-4-14)39-10-19(35)32-15-5-8-17-18(9-15)41-13-40-17/h3-9,11-12,21-23,27,36-37H,2,10,13H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205591 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C26H27N7O6/c1-2-27-25(37)22-20(35)21(36)26(39-22)33-14-30-19-23(28-13-29-24(19)33)32-16-8-10-17(11-9-16)38-12-18(34)31-15-6-4-3-5-7-15/h3-11,13-14,20-22,26,35-36H,2,12H2,1H3,(H,27,37)(H,31,34)(H,28,29,32)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205579 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12 Show InChI InChI=1S/C25H26N8O6/c1-2-27-24(37)21-19(35)20(36)25(39-21)33-13-30-18-22(28-12-29-23(18)33)32-14-3-5-16(6-4-14)38-11-17(34)31-15-7-9-26-10-8-15/h3-10,12-13,19-21,25,35-36H,2,11H2,1H3,(H,27,37)(H,26,31,34)(H,28,29,32)/t19-,20+,21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.2	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	12.4	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205590 ((2S,3S,4R,5R)-5-(6-(4-(2-(3,5-dimethoxyphenylamino...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4cc(OC)cc(OC)c4)cc3)ncnc12 Show InChI InChI=1S/C28H31N7O8/c1-4-29-27(39)24-22(37)23(38)28(43-24)35-14-32-21-25(30-13-31-26(21)35)34-15-5-7-17(8-6-15)42-12-20(36)33-16-9-18(40-2)11-19(10-16)41-3/h5-11,13-14,22-24,28,37-38H,4,12H2,1-3H3,(H,29,39)(H,33,36)(H,30,31,34)/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.3	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205592 ((2S,3S,4R,5R)-5-(6-(4-(2-(cyclohexylamino)-2-oxoet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)ncnc12 Show InChI InChI=1S/C26H33N7O6/c1-2-27-25(37)22-20(35)21(36)26(39-22)33-14-30-19-23(28-13-29-24(19)33)32-16-8-10-17(11-9-16)38-12-18(34)31-15-6-4-3-5-7-15/h8-11,13-15,20-22,26,35-36H,2-7,12H2,1H3,(H,27,37)(H,31,34)(H,28,29,32)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.2	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	18.2	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205589 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-tert-butylphenylamino)...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)ncnc12 Show InChI InChI=1S/C30H35N7O6/c1-5-31-28(41)25-23(39)24(40)29(43-25)37-16-34-22-26(32-15-33-27(22)37)36-19-10-12-20(13-11-19)42-14-21(38)35-18-8-6-17(7-9-18)30(2,3)4/h6-13,15-16,23-25,29,39-40H,5,14H2,1-4H3,(H,31,41)(H,35,38)(H,32,33,36)/t23-,24+,25-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.6	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.4	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205578 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C27H28ClN7O6/c1-2-29-25(39)22-20(37)21(38)26(41-22)35-14-31-19-23(33-27(28)34-24(19)35)32-16-8-10-17(11-9-16)40-13-18(36)30-12-15-6-4-3-5-7-15/h3-11,14,20-22,26,37-38H,2,12-13H2,1H3,(H,29,39)(H,30,36)(H,32,33,34)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22.6	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205586 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O7/c1-3-28-26(38)23-21(36)22(37)27(41-23)34-14-31-20-24(29-13-30-25(20)34)33-16-6-10-18(11-7-16)40-12-19(35)32-15-4-8-17(39-2)9-5-15/h4-11,13-14,21-23,27,36-37H,3,12H2,1-2H3,(H,28,38)(H,32,35)(H,29,30,33)/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.3	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205576 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-methoxybenzylamino)-2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccc(OC)cc4)cc3)ncnc12 Show InChI InChI=1S/C28H31N7O7/c1-3-29-27(39)24-22(37)23(38)28(42-24)35-15-33-21-25(31-14-32-26(21)35)34-17-6-10-19(11-7-17)41-13-20(36)30-12-16-4-8-18(40-2)9-5-16/h4-11,14-15,22-24,28,37-38H,3,12-13H2,1-2H3,(H,29,39)(H,30,36)(H,31,32,34)/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.3	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205581 ((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-oxo-2-(phenylami...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C26H26ClN7O6/c1-2-28-24(38)21-19(36)20(37)25(40-21)34-13-29-18-22(32-26(27)33-23(18)34)31-15-8-10-16(11-9-15)39-12-17(35)30-14-6-4-3-5-7-14/h3-11,13,19-21,25,36-37H,2,12H2,1H3,(H,28,38)(H,30,35)(H,31,32,33)/t19-,20+,21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.5	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205577 ((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-(cyclohexylamino...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C26H32ClN7O6/c1-2-28-24(38)21-19(36)20(37)25(40-21)34-13-29-18-22(32-26(27)33-23(18)34)31-15-8-10-16(11-9-15)39-12-17(35)30-14-6-4-3-5-7-14/h8-11,13-14,19-21,25,36-37H,2-7,12H2,1H3,(H,28,38)(H,30,35)(H,31,32,33)/t19-,20+,21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.8	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205582 (1-deoxy-1-[6-{4-[(2-trifluoromethyl-phenylcarbamoy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C27H26F3N7O6/c1-2-31-25(41)22-20(39)21(40)26(43-22)37-13-34-19-23(32-12-33-24(19)37)35-14-7-9-15(10-8-14)42-11-18(38)36-17-6-4-3-5-16(17)27(28,29)30/h3-10,12-13,20-22,26,39-40H,2,11H2,1H3,(H,31,41)(H,36,38)(H,32,33,35)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205580 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-chlorophenylamino)-2-o...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26ClN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.2	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	35.7	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205587 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26BrN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.4	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205591 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C26H27N7O6/c1-2-27-25(37)22-20(35)21(36)26(39-22)33-14-30-19-23(28-13-29-24(19)33)32-16-8-10-17(11-9-16)38-12-18(34)31-15-6-4-3-5-7-15/h3-11,13-14,20-22,26,35-36H,2,12H2,1H3,(H,27,37)(H,31,34)(H,28,29,32)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.4	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205589 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-tert-butylphenylamino)...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)ncnc12 Show InChI InChI=1S/C30H35N7O6/c1-5-31-28(41)25-23(39)24(40)29(43-25)37-16-34-22-26(32-15-33-27(22)37)36-19-10-12-20(13-11-19)42-14-21(38)35-18-8-6-17(7-9-18)30(2,3)4/h6-13,15-16,23-25,29,39-40H,5,14H2,1-4H3,(H,31,41)(H,35,38)(H,32,33,36)/t23-,24+,25-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.2	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205579 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12 Show InChI InChI=1S/C25H26N8O6/c1-2-27-24(37)21-19(35)20(36)25(39-21)33-13-30-18-22(28-12-29-23(18)33)32-14-3-5-16(6-4-14)38-11-17(34)31-15-7-9-26-10-8-15/h3-10,12-13,19-21,25,35-36H,2,11H2,1H3,(H,27,37)(H,26,31,34)(H,28,29,32)/t19-,20+,21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.3	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205575 ((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-(4-methoxyphenyl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C27H28ClN7O7/c1-3-29-25(39)22-20(37)21(38)26(42-22)35-13-30-19-23(33-27(28)34-24(19)35)32-15-6-10-17(11-7-15)41-12-18(36)31-14-4-8-16(40-2)9-5-14/h4-11,13,20-22,26,37-38H,3,12H2,1-2H3,(H,29,39)(H,31,36)(H,32,33,34)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.4	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205593 ((2S,3S,4R,5R)-5-(6-(4-(2-(3,4-dimethoxyphenylamino...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)c(OC)c4)cc3)ncnc12 Show InChI InChI=1S/C28H31N7O8/c1-4-29-27(39)24-22(37)23(38)28(43-24)35-14-32-21-25(30-13-31-26(21)35)34-15-5-8-17(9-6-15)42-12-20(36)33-16-7-10-18(40-2)19(11-16)41-3/h5-11,13-14,22-24,28,37-38H,4,12H2,1-3H3,(H,29,39)(H,33,36)(H,30,31,34)/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.2	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205576 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-methoxybenzylamino)-2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccc(OC)cc4)cc3)ncnc12 Show InChI InChI=1S/C28H31N7O7/c1-3-29-27(39)24-22(37)23(38)28(42-24)35-15-33-21-25(31-14-32-26(21)35)34-17-6-10-19(11-7-17)41-13-20(36)30-12-16-4-8-18(40-2)9-5-16/h4-11,14-15,22-24,28,37-38H,3,12-13H2,1-2H3,(H,29,39)(H,30,36)(H,31,32,34)/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65.4	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205585 ((2S,3S,4R,5R)-N-ethyl-5-(6-(4-(2-(4-fluorophenylam...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26FN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.3	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205592 ((2S,3S,4R,5R)-5-(6-(4-(2-(cyclohexylamino)-2-oxoet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)ncnc12 Show InChI InChI=1S/C26H33N7O6/c1-2-27-25(37)22-20(35)21(36)26(39-22)33-14-30-19-23(28-13-29-24(19)33)32-16-8-10-17(11-9-16)38-12-18(34)31-15-6-4-3-5-7-15/h8-11,13-15,20-22,26,35-36H,2-7,12H2,1H3,(H,27,37)(H,31,34)(H,28,29,32)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.5	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205578 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C27H28ClN7O6/c1-2-29-25(39)22-20(37)21(38)26(41-22)35-14-31-19-23(33-27(28)34-24(19)35)32-16-8-10-17(11-9-16)40-13-18(36)30-12-15-6-4-3-5-7-15/h3-11,14,20-22,26,37-38H,2,12-13H2,1H3,(H,29,39)(H,30,36)(H,32,33,34)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75.7	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205594 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3)ncnc12 Show InChI InChI=1S/C30H34N8O7/c1-2-31-29(42)26-24(40)25(41)30(45-26)38-17-34-23-27(32-16-33-28(23)38)36-19-5-9-21(10-6-19)44-15-22(39)35-18-3-7-20(8-4-18)37-11-13-43-14-12-37/h3-10,16-17,24-26,30,40-41H,2,11-15H2,1H3,(H,31,42)(H,35,39)(H,32,33,36)/t24-,25+,26-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77.5	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]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205590 ((2S,3S,4R,5R)-5-(6-(4-(2-(3,5-dimethoxyphenylamino...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4cc(OC)cc(OC)c4)cc3)ncnc12 Show InChI InChI=1S/C28H31N7O8/c1-4-29-27(39)24-22(37)23(38)28(43-24)35-14-32-21-25(30-13-31-26(21)35)34-15-5-7-17(8-6-15)42-12-20(36)33-16-9-18(40-2)11-19(10-16)41-3/h5-11,13-14,22-24,28,37-38H,4,12H2,1-3H3,(H,29,39)(H,33,36)(H,30,31,34)/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78.6	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205584 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzo[d][1,3]dioxol-5-yl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc5OCOc5c4)cc3)ncnc12 Show InChI InChI=1S/C27H27N7O8/c1-2-28-26(38)23-21(36)22(37)27(42-23)34-12-31-20-24(29-11-30-25(20)34)33-14-3-6-16(7-4-14)39-10-19(35)32-15-5-8-17-18(9-15)41-13-40-17/h3-9,11-12,21-23,27,36-37H,2,10,13H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81.4	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82.7	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205588 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26IN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.2	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205577 ((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-(cyclohexylamino...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C26H32ClN7O6/c1-2-28-24(38)21-19(36)20(37)25(40-21)34-13-29-18-22(32-26(27)33-23(18)34)31-15-8-10-16(11-9-15)39-12-17(35)30-14-6-4-3-5-7-14/h8-11,13-14,19-21,25,36-37H,2-7,12H2,1H3,(H,28,38)(H,30,35)(H,31,32,33)/t19-,20+,21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95.8	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205575 ((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-(4-methoxyphenyl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C27H28ClN7O7/c1-3-29-25(39)22-20(37)21(38)26(42-22)35-13-30-19-23(33-27(28)34-24(19)35)32-15-6-10-17(11-7-15)41-12-18(36)31-14-4-8-16(40-2)9-5-14/h4-11,13,20-22,26,37-38H,3,12H2,1-2H3,(H,29,39)(H,31,36)(H,32,33,34)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205581 ((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-oxo-2-(phenylami...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C26H26ClN7O6/c1-2-28-24(38)21-19(36)20(37)25(40-21)34-13-29-18-22(32-26(27)33-23(18)34)31-15-8-10-16(11-9-15)39-12-17(35)30-14-6-4-3-5-7-14/h3-11,13,19-21,25,36-37H,2,12H2,1H3,(H,28,38)(H,30,35)(H,31,32,33)/t19-,20+,21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205582 (1-deoxy-1-[6-{4-[(2-trifluoromethyl-phenylcarbamoy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C27H26F3N7O6/c1-2-31-25(41)22-20(39)21(40)26(43-22)37-13-34-19-23(32-12-33-24(19)37)35-14-7-9-15(10-8-14)42-11-18(38)36-17-6-4-3-5-16(17)27(28,29)30/h3-10,12-13,20-22,26,39-40H,2,11H2,1H3,(H,31,41)(H,36,38)(H,32,33,35)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205594 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3)ncnc12 Show InChI InChI=1S/C30H34N8O7/c1-2-31-29(42)26-24(40)25(41)30(45-26)38-17-34-23-27(32-16-33-28(23)38)36-19-5-9-21(10-6-19)44-15-22(39)35-18-3-7-20(8-4-18)37-11-13-43-14-12-37/h3-10,16-17,24-26,30,40-41H,2,11-15H2,1H3,(H,31,42)(H,35,39)(H,32,33,36)/t24-,25+,26-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205582 (1-deoxy-1-[6-{4-[(2-trifluoromethyl-phenylcarbamoy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C27H26F3N7O6/c1-2-31-25(41)22-20(39)21(40)26(43-22)37-13-34-19-23(32-12-33-24(19)37)35-14-7-9-15(10-8-14)42-11-18(38)36-17-6-4-3-5-16(17)27(28,29)30/h3-10,12-13,20-22,26,39-40H,2,11H2,1H3,(H,31,41)(H,36,38)(H,32,33,35)/t20-,21+,22-,26+/m0/s1	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205580 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-chlorophenylamino)-2-o...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)ncnc12 Show InChI InChI=1S/C26H26ClN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205576 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-methoxybenzylamino)-2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccc(OC)cc4)cc3)ncnc12 Show InChI InChI=1S/C28H31N7O7/c1-3-29-27(39)24-22(37)23(38)28(42-24)35-15-33-21-25(31-14-32-26(21)35)34-17-6-10-19(11-7-17)41-13-20(36)30-12-16-4-8-18(40-2)9-5-16/h4-11,14-15,22-24,28,37-38H,3,12-13H2,1-2H3,(H,29,39)(H,30,36)(H,31,32,34)/t22-,23+,24-,28+/m0/s1	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205589 ((2S,3S,4R,5R)-5-(6-(4-(2-(4-tert-butylphenylamino)...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)ncnc12 Show InChI InChI=1S/C30H35N7O6/c1-5-31-28(41)25-23(39)24(40)29(43-25)37-16-34-22-26(32-15-33-27(22)37)36-19-10-12-20(13-11-19)42-14-21(38)35-18-8-6-17(7-9-18)30(2,3)4/h6-13,15-16,23-25,29,39-40H,5,14H2,1-4H3,(H,31,41)(H,35,38)(H,32,33,36)/t23-,24+,25-,29+/m0/s1	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205575 ((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-(4-methoxyphenyl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C27H28ClN7O7/c1-3-29-25(39)22-20(37)21(38)26(42-22)35-13-30-19-23(33-27(28)34-24(19)35)32-15-6-10-17(11-7-15)41-12-18(36)31-14-4-8-16(40-2)9-5-14/h4-11,13,20-22,26,37-38H,3,12H2,1-2H3,(H,29,39)(H,31,36)(H,32,33,34)/t20-,21+,22-,26+/m0/s1	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205578 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)nc(Cl)nc12 Show InChI InChI=1S/C27H28ClN7O6/c1-2-29-25(39)22-20(37)21(38)26(41-22)35-14-31-19-23(33-27(28)34-24(19)35)32-16-8-10-17(11-9-16)40-13-18(36)30-12-15-6-4-3-5-7-15/h3-11,14,20-22,26,37-38H,2,12-13H2,1H3,(H,29,39)(H,30,36)(H,32,33,34)/t20-,21+,22-,26+/m0/s1	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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 84 total )  |  Next  |  Last  >>

Jump to: