Compile Data Set for Download or QSAR

Found 87 hits Enz. Inhib. hit(s) with all data for entry = 50042486   

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 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.10	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 adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426713 (CHEMBL2326828) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:8.8| Show InChI InChI=1S/C18H21N7O5/c1-29-10-4-2-9(3-5-10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					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	14	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 recombinant adenosine A1 receptor				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	15	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426715 (CHEMBL2326842) Show SMILES Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H18ClN7O4/c18-9-3-1-8(2-4-9)5-21-24-17-22-14(19)11-15(23-17)25(7-20-11)16-13(28)12(27)10(6-26)29-16/h1-4,7,10,12-13,16,26-28H,5-6H2,(H2,19,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	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	18	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	20	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 human recombinant adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426714 (CHEMBL2326843) Show SMILES Nc1nc(N=NCc2ccc(Cl)c(Cl)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H17Cl2N7O4/c18-8-2-1-7(3-9(8)19)4-22-25-17-23-14(20)11-15(24-17)26(6-21-11)16-13(29)12(28)10(5-27)30-16/h1-3,6,10,12-13,16,27-29H,4-5H2,(H2,20,23,24)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50364045 (CHEMBL1950554) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	27	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 human recombinant adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50426727 (CHEMBL2326829) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8| Show InChI InChI=1S/C18H20ClN7O5/c1-30-10-3-2-8(4-9(10)19)5-22-25-18-23-15(20)12-16(24-18)26(7-21-12)17-14(29)13(28)11(6-27)31-17/h2-4,7,11,13-14,17,27-29H,5-6H2,1H3,(H2,20,23,24)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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 adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426727 (CHEMBL2326829) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8| Show InChI InChI=1S/C18H20ClN7O5/c1-30-10-3-2-8(4-9(10)19)5-22-25-18-23-15(20)12-16(24-18)26(7-21-12)17-14(29)13(28)11(6-27)31-17/h2-4,7,11,13-14,17,27-29H,5-6H2,1H3,(H2,20,23,24)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	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]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50364045 (CHEMBL1950554) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426727 (CHEMBL2326829) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8| Show InChI InChI=1S/C18H20ClN7O5/c1-30-10-3-2-8(4-9(10)19)5-22-25-18-23-15(20)12-16(24-18)26(7-21-12)17-14(29)13(28)11(6-27)31-17/h2-4,7,11,13-14,17,27-29H,5-6H2,1H3,(H2,20,23,24)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50426728 (CHEMBL2326844) Show SMILES Nc1nc(N=NCc2ccc(Cl)cc2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H18ClN7O5/c18-8-2-1-7(9(27)3-8)4-21-24-17-22-14(19)11-15(23-17)25(6-20-11)16-13(29)12(28)10(5-26)30-16/h1-3,6,10,12-13,16,26-29H,4-5H2,(H2,19,22,23)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	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 adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50426713 (CHEMBL2326828) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:8.8| Show InChI InChI=1S/C18H21N7O5/c1-29-10-4-2-9(3-5-10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50364045 (CHEMBL1950554) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	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 adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426715 (CHEMBL2326842) Show SMILES Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H18ClN7O4/c18-9-3-1-8(2-4-9)5-21-24-17-22-14(19)11-15(23-17)25(7-20-11)16-13(28)12(27)10(6-26)29-16/h1-4,7,10,12-13,16,26-28H,5-6H2,(H2,19,22,23)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	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]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50364045 (CHEMBL1950554) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/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	81	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 human recombinant adenosine A2A receptor expressed in HEK cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426714 (CHEMBL2326843) Show SMILES Nc1nc(N=NCc2ccc(Cl)c(Cl)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H17Cl2N7O4/c18-8-2-1-7(3-9(8)19)4-22-25-17-23-14(20)11-15(24-17)26(6-21-11)16-13(29)12(28)10(5-27)30-16/h1-3,6,10,12-13,16,27-29H,4-5H2,(H2,20,23,24)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	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]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426728 (CHEMBL2326844) Show SMILES Nc1nc(N=NCc2ccc(Cl)cc2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H18ClN7O5/c18-8-2-1-7(9(27)3-8)4-21-24-17-22-14(19)11-15(23-17)25(6-20-11)16-13(29)12(28)10(5-26)30-16/h1-3,6,10,12-13,16,26-29H,4-5H2,(H2,19,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50426715 (CHEMBL2326842) Show SMILES Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H18ClN7O4/c18-9-3-1-8(2-4-9)5-21-24-17-22-14(19)11-15(23-17)25(7-20-11)16-13(28)12(27)10(6-26)29-16/h1-4,7,10,12-13,16,26-28H,5-6H2,(H2,19,22,23)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	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 adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426713 (CHEMBL2326828) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:8.8| Show InChI InChI=1S/C18H21N7O5/c1-29-10-4-2-9(3-5-10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	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]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	114	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 [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426728 (CHEMBL2326844) Show SMILES Nc1nc(N=NCc2ccc(Cl)cc2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H18ClN7O5/c18-8-2-1-7(9(27)3-8)4-21-24-17-22-14(19)11-15(23-17)25(6-20-11)16-13(29)12(28)10(5-26)30-16/h1-3,6,10,12-13,16,26-29H,4-5H2,(H2,19,22,23)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	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]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50364045 (CHEMBL1950554) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	169	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 recombinant adenosine A1 receptor expressed in CHO cells 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50426714 (CHEMBL2326843) Show SMILES Nc1nc(N=NCc2ccc(Cl)c(Cl)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H17Cl2N7O4/c18-8-2-1-7(3-9(8)19)4-22-25-17-23-14(20)11-15(24-17)26(6-21-11)16-13(29)12(28)10(5-27)30-16/h1-3,6,10,12-13,16,27-29H,4-5H2,(H2,20,23,24)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	263	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 adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50364045 (CHEMBL1950554) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/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	270	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 human recombinant adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	289	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 recombinant adenosine A1 receptor				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426712 (CHEMBL2326831) Show SMILES Nc1nc(NNCC(=O)[C@H](O)[C@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25N7O9/c17-13-8-14(23(4-18-8)15-12(31)11(30)7(3-25)32-15)21-16(20-13)22-19-1-5(26)9(28)10(29)6(27)2-24/h4,6-7,9-12,15,19,24-25,27-31H,1-3H2,(H3,17,20,21,22)/t6-,7+,9-,10+,11+,12+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	329	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 striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50426713 (CHEMBL2326828) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:8.8| Show InChI InChI=1S/C18H21N7O5/c1-29-10-4-2-9(3-5-10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17-/m1/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	687	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 human recombinant adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50426713 (CHEMBL2326828) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:8.8| Show InChI InChI=1S/C18H21N7O5/c1-29-10-4-2-9(3-5-10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	723	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 recombinant adenosine A1 receptor expressed in CHO cells 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50364045 (CHEMBL1950554) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	903	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]NECA from human recombinant adenosine A3 receptor				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426716 (CHEMBL2326841) Show SMILES CN(NC(=S)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C18H22N8O4S/c1-25(24-18(31)21-9-5-3-2-4-6-9)17-22-14(19)11-15(23-17)26(8-20-11)16-13(29)12(28)10(7-27)30-16/h2-6,8,10,12-13,16,27-29H,7H2,1H3,(H2,19,22,23)(H2,21,24,31)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426717 (CHEMBL2326840) Show SMILES CN(NC(=O)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C18H22N8O5/c1-25(24-18(30)21-9-5-3-2-4-6-9)17-22-14(19)11-15(23-17)26(8-20-11)16-13(29)12(28)10(7-27)31-16/h2-6,8,10,12-13,16,27-29H,7H2,1H3,(H2,19,22,23)(H2,21,24,30)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426718 (CHEMBL2326839) Show SMILES CN(NC(CO)C(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(22-6(2-25)10(29)11(30)7(28)3-26)17-20-14(18)9-15(21-17)24(5-19-9)16-13(32)12(31)8(4-27)33-16/h5-8,11-13,16,22,25-28,30-32H,2-4H2,1H3,(H2,18,20,21)/t6?,7-,8+,11-,12+,13+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426719 (CHEMBL2326838) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N7O8/c1-22(19-2-6(26)10(28)7(27)3-24)16-20-13(17)9-14(21-16)23(5-18-9)15-12(30)11(29)8(4-25)31-15/h5,7-8,10-12,15,19,24-25,27-30H,2-4H2,1H3,(H2,17,20,21)/t7-,8+,10+,11+,12+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426720 (CHEMBL2326835 | CHEMBL2326837) Show SMILES CN(NCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8+,10-,11-,12+,13+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426721 (CHEMBL2326836) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8-,10-,11+,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426720 (CHEMBL2326835 | CHEMBL2326837) Show SMILES CN(NCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8+,10-,11-,12+,13+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426723 (CHEMBL2326834) Show SMILES Nc1nc(NNC(CO)C(=O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25N7O9/c17-13-8-14(23(4-18-8)15-12(31)11(30)7(3-26)32-15)20-16(19-13)22-21-5(1-24)9(28)10(29)6(27)2-25/h4-7,10-12,15,21,24-27,29-31H,1-3H2,(H3,17,19,20,22)/t5?,6-,7+,10-,11+,12+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426724 (CHEMBL2326833) Show SMILES Nc1nc(NNCC(=O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23N7O8/c16-12-8-13(22(4-17-8)14-11(29)10(28)7(3-24)30-14)20-15(19-12)21-18-1-5(25)9(27)6(26)2-23/h4,6-7,9-11,14,18,23-24,26-29H,1-3H2,(H3,16,19,20,21)/t6-,7+,9+,10+,11+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426725 (CHEMBL2326830 | CHEMBL2326832) Show SMILES Nc1nc(NNCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25N7O9/c17-13-8-14(23(4-18-8)15-12(31)11(30)7(3-25)32-15)21-16(20-13)22-19-1-5(26)9(28)10(29)6(27)2-24/h4,6-7,9-12,15,19,24-25,27-31H,1-3H2,(H3,17,20,21,22)/t6-,7+,9-,10-,11+,12+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50426725 (CHEMBL2326830 | CHEMBL2326832) Show SMILES Nc1nc(NNCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25N7O9/c17-13-8-14(23(4-18-8)15-12(31)11(30)7(3-25)32-15)21-16(20-13)22-19-1-5(26)9(28)10(29)6(27)2-24/h4,6-7,9-12,15,19,24-25,27-31H,1-3H2,(H3,17,20,21,22)/t6-,7+,9-,10-,11+,12+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426716 (CHEMBL2326841) Show SMILES CN(NC(=S)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C18H22N8O4S/c1-25(24-18(31)21-9-5-3-2-4-6-9)17-22-14(19)11-15(23-17)26(8-20-11)16-13(29)12(28)10(7-27)30-16/h2-6,8,10,12-13,16,27-29H,7H2,1H3,(H2,19,22,23)(H2,21,24,31)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426717 (CHEMBL2326840) Show SMILES CN(NC(=O)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C18H22N8O5/c1-25(24-18(30)21-9-5-3-2-4-6-9)17-22-14(19)11-15(23-17)26(8-20-11)16-13(29)12(28)10(7-27)31-16/h2-6,8,10,12-13,16,27-29H,7H2,1H3,(H2,19,22,23)(H2,21,24,30)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426718 (CHEMBL2326839) Show SMILES CN(NC(CO)C(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(22-6(2-25)10(29)11(30)7(28)3-26)17-20-14(18)9-15(21-17)24(5-19-9)16-13(32)12(31)8(4-27)33-16/h5-8,11-13,16,22,25-28,30-32H,2-4H2,1H3,(H2,18,20,21)/t6?,7-,8+,11-,12+,13+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426719 (CHEMBL2326838) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N7O8/c1-22(19-2-6(26)10(28)7(27)3-24)16-20-13(17)9-14(21-16)23(5-18-9)15-12(30)11(29)8(4-25)31-15/h5,7-8,10-12,15,19,24-25,27-30H,2-4H2,1H3,(H2,17,20,21)/t7-,8+,10+,11+,12+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426720 (CHEMBL2326835 | CHEMBL2326837) Show SMILES CN(NCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8+,10-,11-,12+,13+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50426721 (CHEMBL2326836) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8-,10-,11+,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair

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