Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'dudley' and Initial = 'mw'   

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))	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					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	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					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	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					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	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50228562 (CHEMBL321505) Show SMILES Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCCCC1 Show InChI InChI=1S/C13H18N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,14,15)	PDB 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
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50008413 (8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H](C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50008413 (8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H](C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					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	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043209 (8-(1-Phenyl-propyl)-1,3-dipropyl-3,9-dihydro-purin...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H](CC)c1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-12-23-18-16(19(25)24(13-5-2)20(23)26)21-17(22-18)15(6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,21,22)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043214 (8-(1-Phenyl-ethyl)-1,3-dipropyl-3,9-dihydro-purine...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H](C)c1ccccc1 Show InChI InChI=1S/C19H24N4O2/c1-4-11-22-17-15(18(24)23(12-5-2)19(22)25)20-16(21-17)13(3)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,21)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011222 (8-(1-Phenyl-propyl)-1,3-dipropyl-3,7-dihydro-purin...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)c1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-12-23-18-16(19(25)24(13-5-2)20(23)26)21-17(22-18)15(6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043212 (8-(1-Phenyl-ethyl)-1,3-dipropyl-3,9-dihydro-purine...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(C)c1ccccc1 Show InChI InChI=1S/C19H24N4O2/c1-4-11-22-17-15(18(24)23(12-5-2)19(22)25)20-16(21-17)13(3)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	49.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043210 (8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,9-dihyd...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	60.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043210 (8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,9-dihyd...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50005376 (8-Indan-2-yl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H24N4O2/c1-3-9-23-18-16(19(25)24(10-4-2)20(23)26)21-17(22-18)15-11-13-7-5-6-8-14(13)12-15/h5-8,15H,3-4,9-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	64.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043208 (8-(1-Benzyl-butyl)-1,3-dipropyl-3,9-dihydro-purine...) Show SMILES CCCC(Cc1ccccc1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O Show InChI InChI=1S/C22H30N4O2/c1-4-10-17(15-16-11-8-7-9-12-16)19-23-18-20(24-19)25(13-5-2)22(28)26(14-6-3)21(18)27/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	73.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043206 (8-(2-Phenyl-propyl)-1,3-dipropyl-3,9-dihydro-purin...) Show SMILES CCCn1c2[nH]c(CC(C)c3ccccc3)nc2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-17(19(25)24(12-5-2)20(23)26)21-16(22-18)13-14(3)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	94.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043213 (1,3-Dipropyl-8-(1,2,3,4-tetrahydro-naphthalen-2-yl...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CCc2ccccc2C1 Show InChI InChI=1S/C21H26N4O2/c1-3-11-24-19-17(20(26)25(12-4-2)21(24)27)22-18(23-19)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	94.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004711 (3-Phenyl-2-(9-phenyl-2-propoxy-9H-purin-6-ylamino)...) Show SMILES CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(15-29)14-17-9-5-3-6-10-17)20-22(27-23)28(16-24-20)19-11-7-4-8-12-19/h3-12,16,18,29H,2,13-15H2,1H3,(H,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					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	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043216 (8-(1-Phenyl-propyl)-1,3-dipropyl-3,9-dihydro-purin...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](CC)c1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-12-23-18-16(19(25)24(13-5-2)20(23)26)21-17(22-18)15(6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50008413 (8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H](C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043211 (8-(1-Benzyl-propyl)-1,3-dipropyl-3,9-dihydro-purin...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(CC)Cc1ccccc1 Show InChI InChI=1S/C21H28N4O2/c1-4-12-24-19-17(20(26)25(13-5-2)21(24)27)22-18(23-19)16(6-3)14-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043215 (8-(2-Phenyl-cyclopentyl)-1,3-dipropyl-3,9-dihydro-...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CCC[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H28N4O2/c1-3-13-25-20-18(21(27)26(14-4-2)22(25)28)23-19(24-20)17-12-8-11-16(17)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3,(H,23,24)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043207 (8-(1-Phenyl-ethyl)-1,3-dipropyl-3,9-dihydro-purine...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)c1ccccc1 Show InChI InChI=1S/C19H24N4O2/c1-4-11-22-17-15(18(24)23(12-5-2)19(22)25)20-16(21-17)13(3)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50455626 (CHEMBL2112507) Show SMILES CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H25N5O2/c1-3-14-30-23-26-21(25-16(2)20(29)17-10-6-4-7-11-17)19-15-24-28(22(19)27-23)18-12-8-5-9-13-18/h4-13,15-16,20,29H,3,14H2,1-2H3,(H,25,26,27)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50455625 (CHEMBL2111718) Show SMILES CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 |r| Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(16-29)14-17-9-5-3-6-10-17)20-15-24-28(22(20)27-23)19-11-7-4-8-12-19/h3-12,15,18,29H,2,13-14,16H2,1H3,(H,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50455625 (CHEMBL2111718) Show SMILES CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 |r| Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(16-29)14-17-9-5-3-6-10-17)20-15-24-28(22(20)27-23)19-11-7-4-8-12-19/h3-12,15,18,29H,2,13-14,16H2,1H3,(H,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50455625 (CHEMBL2111718) Show SMILES CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 |r| Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(16-29)14-17-9-5-3-6-10-17)20-15-24-28(22(20)27-23)19-11-7-4-8-12-19/h3-12,15,18,29H,2,13-14,16H2,1H3,(H,25,26,27)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50455625 (CHEMBL2111718) Show SMILES CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 |r| Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(16-29)14-17-9-5-3-6-10-17)20-15-24-28(22(20)27-23)19-11-7-4-8-12-19/h3-12,15,18,29H,2,13-14,16H2,1H3,(H,25,26,27)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004715 (3-Phenyl-2-(9-phenyl-2-propoxy-9H-purin-6-ylamino)...) Show SMILES CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(15-29)14-17-9-5-3-6-10-17)20-22(27-23)28(16-24-20)19-11-7-4-8-12-19/h3-12,16,18,29H,2,13-15H2,1H3,(H,25,26,27)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004713 ((R)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imi...) Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	644	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					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	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50043210 (8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,9-dihyd...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	848	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50455626 (CHEMBL2112507) Show SMILES CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H25N5O2/c1-3-14-30-23-26-21(25-16(2)20(29)17-10-6-4-7-11-17)19-15-24-28(22(19)27-23)18-12-8-5-9-13-18/h4-13,15-16,20,29H,3,14H2,1-2H3,(H,25,26,27)/t16-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50043217 (8-(1-Hydroxymethyl-2-phenyl-ethyl)-1,3-dipropyl-3,...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(CO)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O3/c1-3-10-23-18-16(19(26)24(11-4-2)20(23)27)21-17(22-18)15(13-25)12-14-8-6-5-7-9-14/h5-9,15,25H,3-4,10-13H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					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	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50455624 (CHEMBL2112500) Show SMILES CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H25N5O2/c1-3-14-30-23-26-21(25-16(2)20(29)17-10-6-4-7-11-17)19-15-24-28(22(19)27-23)18-12-8-5-9-13-18/h4-13,15-16,20,29H,3,14H2,1-2H3,(H,25,26,27)/t16-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004721 ((S)-8-Benzyl-3-phenyl-5-propoxy-7,8-dihydro-3H-imi...) Show SMILES CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH
					More data for this Ligand-Target Pair

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