Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50042201   

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))	BDBM50020969 (1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...) Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50020965 (8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-4-6-9(21-3)7-5-8/h4-7H,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50020988 (8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021011 (8-(4-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50007838 (8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1 Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50020984 (8-(3-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(F)c1 Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-4-3-5-8(14)6-7/h3-6H,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021006 (1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dion...) Show SMILES Cc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H14N4O2/c1-8-6-4-5-7-9(8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021455 (8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021009 (1,3-Dimethyl-8-m-tolyl-3,7-dihydro-purine-2,6-dion...) Show SMILES Cc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H14N4O2/c1-8-5-4-6-9(7-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50020982 (8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1F Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-5-3-4-6-8(7)14/h3-6H,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50020970 (8-(3-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-5-4-6-9(7-8)21-3/h4-7H,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004568 (8-Cyclohexylmethyl-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc(CC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H28N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)19-14(20-16)12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50007848 (8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1 Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50000412 (CHEMBL157073) Show SMILES CCCc1ccccc1-c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O Show InChI InChI=1S/C20H26N4O2/c1-4-9-14-10-7-8-11-15(14)17-21-16-18(22-17)23(12-5-2)20(26)24(13-6-3)19(16)25/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50000412 (CHEMBL157073) Show SMILES CCCc1ccccc1-c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O Show InChI InChI=1S/C20H26N4O2/c1-4-9-14-10-7-8-11-15(14)17-21-16-18(22-17)23(12-5-2)20(26)24(13-6-3)19(16)25/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021003 (8-(2-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES COc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-6-4-5-7-9(8)21-3/h4-7H,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50000415 (CHEMBL156622) Show SMILES CCCn1c2[nH]c(Cc3ccccc3)nc2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)19-14(20-16)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009552 (2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367493 (CHEMBL607777) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(F)c3)ncnc12 |r| Show InChI InChI=1S/C16H16FN5O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421989 (CHEMBL611903) Show SMILES CCCc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-2-5-11-6-3-4-7-12(11)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-4,6-7,9-10,13,15-16,19,25-27H,2,5,8H2,1H3,(H,20,21,23)/t13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421989 (CHEMBL611903) Show SMILES CCCc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-2-5-11-6-3-4-7-12(11)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-4,6-7,9-10,13,15-16,19,25-27H,2,5,8H2,1H3,(H,20,21,23)/t13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367501 (CHEMBL610427) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C16H16FN5O4/c17-8-1-3-9(4-2-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421993 (CHEMBL2113423) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r| Show InChI InChI=1S/C13H17N5O4/c19-3-7-9(20)10(21)13(22-7)18-5-16-8-11(17-6-1-2-6)14-4-15-12(8)18/h4-7,9-10,13,19-21H,1-3H2,(H,14,15,17)/t7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421991 (CHEMBL612218) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3)ncnc12 |r| Show InChI InChI=1S/C16H16ClN5O4/c17-8-1-3-9(4-2-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM42467 ((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421994 (CHEMBL608952) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3F)ncnc12 |r| Show InChI InChI=1S/C16H16FN5O4/c17-8-3-1-2-4-9(8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367273 (CHEMBL605042) Show SMILES Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O4/c1-9-2-4-10(5-3-9)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)26-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421990 (CHEMBL607776) Show SMILES Cc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N5O4/c1-9-4-2-3-5-10(9)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)26-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421995 (CHEMBL612221) Show SMILES Cc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H19N5O4/c1-9-3-2-4-10(5-9)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)26-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421988 (CHEMBL604407) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C17H25N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h8-11,13-14,17,23-25H,1-7H2,(H,18,19,20)/t11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421996 (CHEMBL608355) Show SMILES COc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-3-9(5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50421992 (CHEMBL604860) Show SMILES COc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-5-3-2-4-9(10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50241166 ((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair