Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50001872   

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))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018580 (5,7-Dipropyl-1,5-dihydro-imidazo[4,5-g]quinazoline...) Show SMILES CCCn1c2cc3nc[nH]c3cc2c(=O)n(CCC)c1=O Show InChI InChI=1S/C15H18N4O2/c1-3-5-18-13-8-12-11(16-9-17-12)7-10(13)14(20)19(6-4-2)15(18)21/h7-9H,3-6H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018581 (6,8-Dibutyl-1,6-dihydro-imidazo[4,5-f]quinazoline-...) Show SMILES CCCCn1c2ccc3[nH]cnc3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C17H22N4O2/c1-3-5-9-20-13-8-7-12-15(19-11-18-12)14(13)16(22)21(17(20)23)10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018572 (5,7-Dibutyl-1,5-dihydro-imidazo[4,5-g]quinazoline-...) Show SMILES CCCCn1c2cc3nc[nH]c3cc2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C17H22N4O2/c1-3-5-7-20-15-10-14-13(18-11-19-14)9-12(15)16(22)21(17(20)23)8-6-4-2/h9-11H,3-8H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018574 (6,8-Dipropyl-1,6-dihydro-imidazo[4,5-f]quinazoline...) Show SMILES CCCn1c2ccc3[nH]cnc3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C15H18N4O2/c1-3-7-18-11-6-5-10-13(17-9-16-10)12(11)14(20)19(8-4-2)15(18)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018576 (6,8-Dimethyl-2-phenyl-1,6-dihydro-imidazo[4,5-f]qu...) Show SMILES Cn1c2ccc3[nH]c(nc3c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H14N4O2/c1-20-12-9-8-11-14(13(12)16(22)21(2)17(20)23)19-15(18-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82032 (1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...) Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018571 (5-Isobutyl-7-methyl-1,5-dihydro-imidazo[4,5-g]quin...) Show SMILES CC(C)Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O Show InChI InChI=1S/C14H16N4O2/c1-8(2)6-18-12-5-11-10(15-7-16-11)4-9(12)13(19)17(3)14(18)20/h4-5,7-8H,6H2,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018572 (5,7-Dibutyl-1,5-dihydro-imidazo[4,5-g]quinazoline-...) Show SMILES CCCCn1c2cc3nc[nH]c3cc2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C17H22N4O2/c1-3-5-7-20-15-10-14-13(18-11-19-14)9-12(15)16(22)21(17(20)23)8-6-4-2/h9-11H,3-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018574 (6,8-Dipropyl-1,6-dihydro-imidazo[4,5-f]quinazoline...) Show SMILES CCCn1c2ccc3[nH]cnc3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C15H18N4O2/c1-3-7-18-11-6-5-10-13(17-9-16-10)12(11)14(20)19(8-4-2)15(18)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018579 (6-Isobutyl-8-methyl-1,6-dihydro-imidazo[4,5-f]quin...) Show SMILES CC(C)Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O Show InChI InChI=1S/C14H16N4O2/c1-8(2)6-18-10-5-4-9-12(16-7-15-9)11(10)13(19)17(3)14(18)20/h4-5,7-8H,6H2,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018580 (5,7-Dipropyl-1,5-dihydro-imidazo[4,5-g]quinazoline...) Show SMILES CCCn1c2cc3nc[nH]c3cc2c(=O)n(CCC)c1=O Show InChI InChI=1S/C15H18N4O2/c1-3-5-18-13-8-12-11(16-9-17-12)7-10(13)14(20)19(6-4-2)15(18)21/h7-9H,3-6H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018581 (6,8-Dibutyl-1,6-dihydro-imidazo[4,5-f]quinazoline-...) Show SMILES CCCCn1c2ccc3[nH]cnc3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C17H22N4O2/c1-3-5-9-20-13-8-7-12-15(19-11-18-12)14(13)16(22)21(17(20)23)10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018579 (6-Isobutyl-8-methyl-1,6-dihydro-imidazo[4,5-f]quin...) Show SMILES CC(C)Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O Show InChI InChI=1S/C14H16N4O2/c1-8(2)6-18-10-5-4-9-12(16-7-15-9)11(10)13(19)17(3)14(18)20/h4-5,7-8H,6H2,1-3H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018571 (5-Isobutyl-7-methyl-1,5-dihydro-imidazo[4,5-g]quin...) Show SMILES CC(C)Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O Show InChI InChI=1S/C14H16N4O2/c1-8(2)6-18-12-5-11-10(15-7-16-11)4-9(12)13(19)17(3)14(18)20/h4-5,7-8H,6H2,1-3H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM15336 (1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82032 (1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...) Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018582 (1,6,8-Trimethyl-1,6-dihydro-imidazo[4,5-f]quinazol...) Show SMILES Cn1cnc2ccc3n(C)c(=O)n(C)c(=O)c3c12 Show InChI InChI=1S/C12H12N4O2/c1-14-6-13-7-4-5-8-9(10(7)14)11(17)16(3)12(18)15(8)2/h4-6H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018576 (6,8-Dimethyl-2-phenyl-1,6-dihydro-imidazo[4,5-f]qu...) Show SMILES Cn1c2ccc3[nH]c(nc3c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H14N4O2/c1-20-12-9-8-11-14(13(12)16(22)21(2)17(20)23)19-15(18-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018573 (1,5,7-Trimethyl-1,5-dihydro-imidazo[4,5-g]quinazol...) Show SMILES Cn1cnc2cc3n(C)c(=O)n(C)c(=O)c3cc12 Show InChI InChI=1S/C12H12N4O2/c1-14-6-13-8-5-9-7(4-10(8)14)11(17)16(3)12(18)15(9)2/h4-6H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018582 (1,6,8-Trimethyl-1,6-dihydro-imidazo[4,5-f]quinazol...) Show SMILES Cn1cnc2ccc3n(C)c(=O)n(C)c(=O)c3c12 Show InChI InChI=1S/C12H12N4O2/c1-14-6-13-7-4-5-8-9(10(7)14)11(17)16(3)12(18)15(8)2/h4-6H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018584 (6,8-Dimethyl-1,6-dihydro-imidazo[4,5-f]quinazoline...) Show SMILES Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O Show InChI InChI=1S/C11H10N4O2/c1-14-7-4-3-6-9(13-5-12-6)8(7)10(16)15(2)11(14)17/h3-5H,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM15336 (1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018578 (3,5,7-Trimethyl-3,5-dihydro-imidazo[4,5-g]quinazol...) Show SMILES Cn1cnc2cc3c(cc12)n(C)c(=O)n(C)c3=O Show InChI InChI=1S/C12H12N4O2/c1-14-6-13-8-4-7-9(5-10(8)14)15(2)12(18)16(3)11(7)17/h4-6H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018584 (6,8-Dimethyl-1,6-dihydro-imidazo[4,5-f]quinazoline...) Show SMILES Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O Show InChI InChI=1S/C11H10N4O2/c1-14-7-4-3-6-9(13-5-12-6)8(7)10(16)15(2)11(14)17/h3-5H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018573 (1,5,7-Trimethyl-1,5-dihydro-imidazo[4,5-g]quinazol...) Show SMILES Cn1cnc2cc3n(C)c(=O)n(C)c(=O)c3cc12 Show InChI InChI=1S/C12H12N4O2/c1-14-6-13-8-5-9-7(4-10(8)14)11(17)16(3)12(18)15(9)2/h4-6H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018570 (5,7-Dimethyl-1,5-dihydro-imidazo[4,5-g]quinazoline...) Show SMILES Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O Show InChI InChI=1S/C11H10N4O2/c1-14-9-4-8-7(12-5-13-8)3-6(9)10(16)15(2)11(14)17/h3-5H,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018583 (6,8-Diethyl-2-phenyl-1,6-dihydro-imidazo[4,5-f]qui...) Show SMILES CCn1c2ccc3[nH]c(nc3c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI InChI=1S/C19H18N4O2/c1-3-22-14-11-10-13-16(15(14)18(24)23(4-2)19(22)25)21-17(20-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018578 (3,5,7-Trimethyl-3,5-dihydro-imidazo[4,5-g]quinazol...) Show SMILES Cn1cnc2cc3c(cc12)n(C)c(=O)n(C)c3=O Show InChI InChI=1S/C12H12N4O2/c1-14-6-13-8-4-7-9(5-10(8)14)15(2)12(18)16(3)11(7)17/h4-6H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018570 (5,7-Dimethyl-1,5-dihydro-imidazo[4,5-g]quinazoline...) Show SMILES Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O Show InChI InChI=1S/C11H10N4O2/c1-14-9-4-8-7(12-5-13-8)3-6(9)10(16)15(2)11(14)17/h3-5H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018577 (5,7-Diethyl-2-phenyl-1,5-dihydro-imidazo[4,5-g]qui...) Show SMILES CCn1c2cc3nc([nH]c3cc2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI InChI=1S/C19H18N4O2/c1-3-22-16-11-15-14(10-13(16)18(24)23(4-2)19(22)25)20-17(21-15)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018583 (6,8-Diethyl-2-phenyl-1,6-dihydro-imidazo[4,5-f]qui...) Show SMILES CCn1c2ccc3[nH]c(nc3c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI InChI=1S/C19H18N4O2/c1-3-22-14-11-10-13-16(15(14)18(24)23(4-2)19(22)25)21-17(20-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018575 (5,7-Dimethyl-2-phenyl-1,5-dihydro-imidazo[4,5-g]qu...) Show SMILES Cn1c2cc3nc([nH]c3cc2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H14N4O2/c1-20-14-9-13-12(8-11(14)16(22)21(2)17(20)23)18-15(19-13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018577 (5,7-Diethyl-2-phenyl-1,5-dihydro-imidazo[4,5-g]qui...) Show SMILES CCn1c2cc3nc([nH]c3cc2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI InChI=1S/C19H18N4O2/c1-3-22-16-11-15-14(10-13(16)18(24)23(4-2)19(22)25)20-17(21-15)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018575 (5,7-Dimethyl-2-phenyl-1,5-dihydro-imidazo[4,5-g]qu...) Show SMILES Cn1c2cc3nc([nH]c3cc2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H14N4O2/c1-20-14-9-13-12(8-11(14)16(22)21(2)17(20)23)18-15(19-13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50291815 (1,3,9-Trimethyl-3,9-dihydro-purine-2,6-dione | CHE...) Show SMILES Cn1cnc2c1n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
					More data for this Ligand-Target Pair