Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'frobenius' and Initial = 'w'   

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))	BDBM50014295 (5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061942 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-7-methyl-3-propy...) Show SMILES CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C20H19ClN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h2,6-10,13H,4,11-12H2,1,3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051653 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061927 (8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...) Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094591 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1 Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor expressed in CHO cells using [3H]-CCPA				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061931 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C18H15ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061933 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-3,7-dimethy...) Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)cc1OC Show InChI InChI=1S/C20H20N4O4/c1-6-11-24-19(25)17-18(23(3)20(24)26)21-16(22(17)2)10-8-13-7-9-14(27-4)15(12-13)28-5/h1,7-10,12H,11H2,2-5H3/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061938 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-7-met...) Show SMILES CC(C)Cn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C21H21ClN4O2/c1-5-11-25-20(27)18-19(26(21(25)28)13-14(2)3)23-17(24(18)4)10-9-15-7-6-8-16(22)12-15/h1,6-10,12,14H,11,13H2,2-4H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094599 (2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50047166 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...) Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094589 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-thiophen-2-yl-7H...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccs1 Show InChI InChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061949 (3,7-Dimethyl-1-prop-2-ynyl-8-((E)-2-thiophen-3-yl-...) Show SMILES Cn1c(\C=C\c2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C16H14N4O2S/c1-4-8-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)6-5-11-7-9-23-10-11/h1,5-7,9-10H,8H2,2-3H3/b6-5+	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
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061947 (3,7-Dimethyl-1-prop-2-ynyl-8-((E)-styryl)-3,7-dihy...) Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C18H16N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-11H,12H2,2-3H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061934 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...) Show SMILES CCCn1c(=O)n(C)c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c1=O Show InChI InChI=1S/C18H19ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h5-9,11H,4,10H2,1-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061950 (8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...) Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C19H16N4O4/c1-4-9-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)8-6-12-5-7-13-14(10-12)27-11-26-13/h1,5-8,10H,9,11H2,2-3H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061948 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-1-pro...) Show SMILES CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:9.9| Show InChI InChI=1S/C20H19ClN4O2/c1-4-10-24-19(26)17-18(25(20(24)27)12-13(2)3)23-16(22-17)9-8-14-6-5-7-15(21)11-14/h1,5-9,11,13H,10,12H2,2-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094591 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1 Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061931 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C18H15ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061932 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1,7-di-...) Show SMILES Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C20H15ClN4O2/c1-4-11-24-16(10-9-14-7-6-8-15(21)13-14)22-18-17(24)19(26)25(12-5-2)20(27)23(18)3/h1-2,6-10,13H,11-12H2,3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061941 (1-Allyl-3,7-dimethyl-8-((E)-styryl)-3,7-dihydro-pu...) Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C18H18N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h4-11H,1,12H2,2-3H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061935 (3-Benzyl-8-[(E)-2-(3-chloro-phenyl)-vinyl]-7-methy...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C24H19ClN4O2/c1-3-14-28-23(30)21-22(29(24(28)31)16-18-8-5-4-6-9-18)26-20(27(21)2)13-12-17-10-7-11-19(25)15-17/h1,4-13,15H,14,16H2,2H3/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061948 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-1-pro...) Show SMILES CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:9.9| Show InChI InChI=1S/C20H19ClN4O2/c1-4-10-24-19(26)17-18(25(20(24)27)12-13(2)3)23-16(22-17)9-8-14-6-5-7-15(21)11-14/h1,5-9,11,13H,10,12H2,2-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50041576 (1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...) Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061942 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-7-methyl-3-propy...) Show SMILES CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C20H19ClN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h2,6-10,13H,4,11-12H2,1,3H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061940 (1-Prop-2-ynyl-8-thiophen-2-yl-3,7-dihydro-purine-2...) Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1 Show InChI InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061947 (3,7-Dimethyl-1-prop-2-ynyl-8-((E)-styryl)-3,7-dihy...) Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C18H16N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-11H,12H2,2-3H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061944 (8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3-methyl-1-p...) Show SMILES Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6| Show InChI InChI=1S/C18H14N4O4/c1-3-8-22-17(23)15-16(21(2)18(22)24)20-14(19-15)7-5-11-4-6-12-13(9-11)26-10-25-12/h1,4-7,9H,8,10H2,2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061940 (1-Prop-2-ynyl-8-thiophen-2-yl-3,7-dihydro-purine-2...) Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1 Show InChI InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061932 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1,7-di-...) Show SMILES Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C20H15ClN4O2/c1-4-11-24-16(10-9-14-7-6-8-15(21)13-14)22-18-17(24)19(26)25(12-5-2)20(27)23(18)3/h1-2,6-10,13H,11-12H2,3H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094587 (2-[4-Amino-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-pyrr...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1O Show InChI InChI=1S/C22H22N4O/c1-13-14(2)26(15(3)16-9-5-4-6-10-16)22-19(13)20(23)24-21(25-22)17-11-7-8-12-18(17)27/h4-12,15,27H,1-3H3,(H2,23,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061938 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-7-met...) Show SMILES CC(C)Cn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C21H21ClN4O2/c1-5-11-25-20(27)18-19(26(21(25)28)13-14(2)3)23-17(24(18)4)10-9-15-7-6-8-16(22)12-15/h1,6-10,12,14H,11,13H2,2-4H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061939 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1-prop-...) Show SMILES Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6| Show InChI InChI=1S/C17H13ClN4O2/c1-3-9-22-16(23)14-15(21(2)17(22)24)20-13(19-14)8-7-11-5-4-6-12(18)10-11/h1,4-8,10H,9H2,2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061943 (8-((E)-2-Furan-2-yl-vinyl)-3,7-dimethyl-1-prop-2-y...) Show SMILES Cn1c(\C=C\c2ccco2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C16H14N4O3/c1-4-9-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)8-7-11-6-5-10-23-11/h1,5-8,10H,9H2,2-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061937 (1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...) Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7| Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061936 (3,7-Dimethyl-1-prop-2-ynyl-8-[(E)-2-(5H-1lambda*4*...) Show SMILES Cn1c(\C=C\c2cccs2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C16H14N4O2S/c1-4-9-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)8-7-11-6-5-10-23-11/h1,5-8,10H,9H2,2-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061939 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1-prop-...) Show SMILES Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6| Show InChI InChI=1S/C17H13ClN4O2/c1-3-9-22-16(23)14-15(21(2)17(22)24)20-13(19-14)8-7-11-5-4-6-12(18)10-11/h1,4-8,10H,9H2,2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50094599 (2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094594 (5,6-Dimethyl-2-(1-oxy-pyridin-4-yl)-7-(1-phenyl-et...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cc[n+]([O-])cc1 Show InChI InChI=1S/C21H21N5O/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)23-20(24-21)17-9-11-25(27)12-10-17/h4-12,15H,1-3H3,(H2,22,23,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094603 (9-(1-Phenyl-ethyl)-2-pyridin-2-yl-9H-1,3,9-triaza-...) Show SMILES C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccn1 Show InChI InChI=1S/C23H19N5/c1-15(16-9-3-2-4-10-16)28-19-13-6-5-11-17(19)20-21(24)26-22(27-23(20)28)18-12-7-8-14-25-18/h2-15H,1H3,(H2,24,26,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061934 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...) Show SMILES CCCn1c(=O)n(C)c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c1=O Show InChI InChI=1S/C18H19ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h5-9,11H,4,10H2,1-3H3/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061940 (1-Prop-2-ynyl-8-thiophen-2-yl-3,7-dihydro-purine-2...) Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1 Show InChI InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094595 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyrazin-2-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cnccn1 Show InChI InChI=1S/C20H20N6/c1-12-13(2)26(14(3)15-7-5-4-6-8-15)20-17(12)18(21)24-19(25-20)16-11-22-9-10-23-16/h4-11,14H,1-3H3,(H2,21,24,25)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094601 (2-[2-(4-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-et...) Show SMILES CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN4O/c1-5-22(15-32)28-25-23-16(2)17(3)31(18(4)19-9-7-6-8-10-19)26(23)30-24(29-25)20-11-13-21(27)14-12-20/h6-14,18,22,32H,5,15H2,1-4H3,(H,28,29,30)/t18-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity against human adenosine A3 receptor using [3H]-NECA at 30 uM				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094592 (9-Phenyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-1,3,...) Show SMILES Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C21H19N5/c22-19-18-16-8-4-5-9-17(16)26(15-6-2-1-3-7-15)21(18)25-20(24-19)14-10-12-23-13-11-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061949 (3,7-Dimethyl-1-prop-2-ynyl-8-((E)-2-thiophen-3-yl-...) Show SMILES Cn1c(\C=C\c2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C16H14N4O2S/c1-4-8-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)6-5-11-7-9-23-10-11/h1,5-7,9-10H,8H2,2-3H3/b6-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50042208 (3-Methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C9H8N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h1,5H,4H2,2H3,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061944 (8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3-methyl-1-p...) Show SMILES Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6| Show InChI InChI=1S/C18H14N4O4/c1-3-8-22-17(23)15-16(21(2)18(22)24)20-14(19-15)7-5-11-4-6-12-13(9-11)26-10-25-12/h1,4-7,9H,8,10H2,2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair

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