Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'lin' and Initial = 'kc'   

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))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199290 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199289 ((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199301 ((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199294 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl...) Show SMILES CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199295 ((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50002697 (CHEMBL2113246) Show SMILES CCCN1c2nc([nH]c2C2=N[C@H](CN2C1=O)C(C)CC)C12CCC(O)(CC1)CC2 |t:10| Show InChI InChI=1S/C22H33N5O2/c1-4-12-26-18-16(17-23-15(14(3)5-2)13-27(17)20(26)28)24-19(25-18)21-6-9-22(29,10-7-21)11-8-21/h14-15,29H,4-13H2,1-3H3,(H,24,25)/t14?,15-,21?,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199289 ((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199290 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199301 ((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199299 ((R)-4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C21H29N5O3/c1-3-11-25-16-14(15-22-13(4-2)12-26(15)19(25)29)23-17(24-16)20-5-8-21(9-6-20,10-7-20)18(27)28/h13,22H,3-12H2,1-2H3,(H,27,28)/t13-,20?,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199304 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-4,8-dipr...) Show SMILES CCC[C@@H]1Cn2c(N1)c1nc(nc1n(CCC)c2=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-3-5-14-13-26-16(22-14)15-17(25(12-4-2)19(26)27)24-18(23-15)20-6-9-21(28,10-7-20)11-8-20/h14,22,28H,3-13H2,1-2H3/t14-,20?,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199295 ((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199300 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-7-methyl...) Show SMILES CCCn1c2nc(nc2c2NC[C@@H](C)n2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-11-12(2)24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199294 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl...) Show SMILES CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199309 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-phenyl...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)c1ccccc1)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C24H29N5O2/c1-2-14-28-20-18(26-21(27-20)23-8-11-24(31,12-9-23)13-10-23)19-25-17(15-29(19)22(28)30)16-6-4-3-5-7-16/h3-7,17,25,31H,2,8-15H2,1H3/t17-,23?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199308 ((S)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-7-methyl...) Show SMILES CCCn1c2nc(nc2c2NC[C@H](C)n2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-11-12(2)24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199298 ((S)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199306 ((S)-4-(7-methyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-...) Show SMILES CCCn1c2nc(nc2c2NCCn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C18H25N5O2/c1-2-10-22-14-12(13-19-9-11-23(13)16(22)24)20-15(21-14)17-3-6-18(25,7-4-17)8-5-17/h19,25H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199296 ((R)-8-tert-butyl-2-(4-hydroxybicyclo[2.2.2]octan-1...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C22H33N5O2/c1-5-12-26-17-15(16-23-14(20(2,3)4)13-27(16)19(26)28)24-18(25-17)21-6-9-22(29,10-7-21)11-8-21/h14,23,29H,5-13H2,1-4H3/t14-,21?,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199307 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isobut...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC(C)C)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C22H33N5O2/c1-4-11-26-18-16(17-23-15(12-14(2)3)13-27(17)20(26)28)24-19(25-18)21-5-8-22(29,9-6-21)10-7-21/h14-15,23,29H,4-13H2,1-3H3/t15-,21?,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199292 ((R)-9-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)CCn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-3-12-25-17-15(16-22-14(4-2)5-13-26(16)19(25)27)23-18(24-17)20-6-9-21(28,10-7-20)11-8-20/h14,22,28H,3-13H2,1-2H3/t14-,20?,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199297 ((S)-4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C21H29N5O3/c1-3-11-25-16-14(15-22-13(4-2)12-26(15)19(25)29)23-17(24-16)20-5-8-21(9-6-20,10-7-20)18(27)28/h13,22H,3-12H2,1-2H3,(H,27,28)/t13-,20?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199291 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-9-methyl...) Show SMILES CCCn1c2nc(nc2c2N[C@H](C)CCn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(2)4-12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50199289 ((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199302 ((R)-8-benzyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)...) Show SMILES CCCn1c2nc(nc2c2N[C@H](Cc3ccccc3)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C25H31N5O2/c1-2-14-29-21-19(27-22(28-21)24-8-11-25(32,12-9-24)13-10-24)20-26-18(16-30(20)23(29)31)15-17-6-4-3-5-7-17/h3-7,18,26,32H,2,8-16H2,1H3/t18-,24?,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	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
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50199290 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat striatal membrane				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281993 (CHEMBL287334 | Trisodium salt of (3R,4S,5R)-5-Carb...) Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O |c:4| Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/p-3/t5-,6-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound was calculated for E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199290 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50199301 ((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50199290 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50199294 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl...) Show SMILES CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50199289 ((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat striatal membrane				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50199295 ((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199289 ((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199301 ((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50199295 ((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50199290 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50199289 ((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50199301 ((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199295 ((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair

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