Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'spinetti' and Initial = 'f'   

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 (GUINEA PIG)	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22038 (2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	-50.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	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	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	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	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138530 ((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50138530 ((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224775 ((2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224775 ((2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50138530 ((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.30	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (GUINEA PIG)	BDBM50224775 ((2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22037 (2-Phenylindolglyoxylamide Derivative, 6 | 2-[2-(4-...) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12 Show InChI InChI=1S/C28H25FN6O5/c29-18-11-9-17(10-12-18)24-23(19-7-3-4-8-20(19)32-24)27(36)28(37)31-16-6-2-1-5-15-30-21-13-14-22(35(38)39)26-25(21)33-40-34-26/h3-4,7-14,30,32H,1-2,5-6,15-16H2,(H,31,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-42.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224764 (2-chloro-2'-C-methyl-tecadenoson | CHEMBL400782) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O5/c1-15(24)10(23)8(4-22)26-13(15)21-6-17-9-11(18-7-2-3-25-5-7)19-14(16)20-12(9)21/h6-8,10,13,22-24H,2-5H2,1H3,(H,18,19,20)/t7-,8-,10-,13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224769 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-methylt...) Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)12(26)10(7-28-17(30)20-2)29-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26-27H,3-7H2,1-2H3,(H,20,30)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224778 (2'-Me-tecadenoson | CHEMBL400190) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C15H21N5O5/c1-15(23)11(22)9(4-21)25-14(15)20-7-18-10-12(16-6-17-13(10)20)19-8-2-3-24-5-8/h6-9,11,14,21-23H,2-5H2,1H3,(H,16,17,19)/t8-,9-,11-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224764 (2-chloro-2'-C-methyl-tecadenoson | CHEMBL400782) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O5/c1-15(24)10(23)8(4-22)26-13(15)21-6-17-9-11(18-7-2-3-25-5-7)19-14(16)20-12(9)21/h6-8,10,13,22-24H,2-5H2,1H3,(H,18,19,20)/t7-,8-,10-,13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22036 (2-Phenylindolglyoxylamide Derivative, 5 | 7-nitrob...) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12 Show InChI InChI=1S/C28H26N6O5/c35-27(23-19-12-6-7-13-20(19)31-24(23)18-10-4-3-5-11-18)28(36)30-17-9-2-1-8-16-29-21-14-15-22(34(37)38)26-25(21)32-39-33-26/h3-7,10-15,29,31H,1-2,8-9,16-17H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224778 (2'-Me-tecadenoson | CHEMBL400190) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C15H21N5O5/c1-15(23)11(22)9(4-21)25-14(15)20-7-18-10-12(16-6-17-13(10)20)19-8-2-3-24-5-8/h6-9,11,14,21-23H,2-5H2,1H3,(H,16,17,19)/t8-,9-,11-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22040 (4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	-40.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22035 (2-Phenylindolglyoxylamide Derivative, 4 | 2-[2-(4-...) Show SMILES [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12 Show InChI InChI=1S/C26H21FN6O5/c27-16-9-7-15(8-10-16)22-21(17-5-1-2-6-18(17)30-22)25(34)26(35)29-14-4-3-13-28-19-11-12-20(33(36)37)24-23(19)31-38-32-24/h1-2,5-12,28,30H,3-4,13-14H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-40.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224783 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylt...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C24H29ClN6O4S/c1-24(33)18(32)16(12-34-23(36)26-11-14-7-3-2-4-8-14)35-21(24)31-13-27-17-19(28-15-9-5-6-10-15)29-22(25)30-20(17)31/h2-4,7-8,13,15-16,18,21,32-33H,5-6,9-12H2,1H3,(H,26,36)(H,28,29,30)/t16-,18-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22034 (2-Phenylindolglyoxylamide Derivative, 3 | 7-nitrob...) Show SMILES [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12 Show InChI InChI=1S/C26H22N6O5/c33-25(21-17-10-4-5-11-18(17)29-22(21)16-8-2-1-3-9-16)26(34)28-15-7-6-14-27-19-12-13-20(32(35)36)24-23(19)30-37-31-24/h1-5,8-13,27,29H,6-7,14-15H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224768 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylc...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C24H29ClN6O5/c1-24(34)18(32)16(12-35-23(33)26-11-14-7-3-2-4-8-14)36-21(24)31-13-27-17-19(28-15-9-5-6-10-15)29-22(25)30-20(17)31/h2-4,7-8,13,15-16,18,21,32,34H,5-6,9-12H2,1H3,(H,26,33)(H,28,29,30)/t16-,18-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224765 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-propylc...) Show SMILES CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C20H29ClN6O5/c1-3-8-22-19(29)31-9-12-14(28)20(2,30)17(32-12)27-10-23-13-15(24-11-6-4-5-7-11)25-18(21)26-16(13)27/h10-12,14,17,28,30H,3-9H2,1-2H3,(H,22,29)(H,24,25,26)/t12-,14-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224769 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-methylt...) Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)12(26)10(7-28-17(30)20-2)29-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26-27H,3-7H2,1-2H3,(H,20,30)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224779 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-cyclope...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C22H31ClN6O5/c1-22(32)16(30)14(10-33-21(31)26-13-8-4-5-9-13)34-19(22)29-11-24-15-17(25-12-6-2-3-7-12)27-20(23)28-18(15)29/h11-14,16,19,30,32H,2-10H2,1H3,(H,26,31)(H,25,27,28)/t14-,16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224764 (2-chloro-2'-C-methyl-tecadenoson | CHEMBL400782) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O5/c1-15(24)10(23)8(4-22)26-13(15)21-6-17-9-11(18-7-2-3-25-5-7)19-14(16)20-12(9)21/h6-8,10,13,22-24H,2-5H2,1H3,(H,18,19,20)/t7-,8-,10-,13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224776 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-propylt...) Show SMILES CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C20H29ClN6O4S/c1-3-8-22-19(32)30-9-12-14(28)20(2,29)17(31-12)27-10-23-13-15(24-11-6-4-5-7-11)25-18(21)26-16(13)27/h10-12,14,17,28-29H,3-9H2,1-2H3,(H,22,32)(H,24,25,26)/t12-,14-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224784 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-cyclope...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C22H31ClN6O4S/c1-22(31)16(30)14(10-32-21(34)26-13-8-4-5-9-13)33-19(22)29-11-24-15-17(25-12-6-2-3-7-12)27-20(23)28-18(15)29/h11-14,16,19,30-31H,2-10H2,1H3,(H,26,34)(H,25,27,28)/t14-,16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224778 (2'-Me-tecadenoson | CHEMBL400190) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C15H21N5O5/c1-15(23)11(22)9(4-21)25-14(15)20-7-18-10-12(16-6-17-13(10)20)19-8-2-3-24-5-8/h6-9,11,14,21-23H,2-5H2,1H3,(H,16,17,19)/t8-,9-,11-,14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224762 (CHEMBL254483 | N6-(R)-3-tetrahydrofuranyl-9H-(2-C-...) Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C17H24N6O5S/c1-17(25)12(24)10(6-27-16(29)18-2)28-15(17)23-8-21-11-13(19-7-20-14(11)23)22-9-3-4-26-5-9/h7-10,12,15,24-25H,3-6H2,1-2H3,(H,18,29)(H,19,20,22)/t9-,10-,12-,15-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50138530 ((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224761 (2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C23H27ClN6O5S/c1-23(32)17(31)15(11-34-22(36)25-9-13-5-3-2-4-6-13)35-20(23)30-12-26-16-18(27-14-7-8-33-10-14)28-21(24)29-19(16)30/h2-6,12,14-15,17,20,31-32H,7-11H2,1H3,(H,25,36)(H,27,28,29)/t14-,15-,17-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50224763 (2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...) Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C17H23ClN6O5S/c1-17(26)11(25)9(6-28-16(30)19-2)29-14(17)24-7-20-10-12(21-8-3-4-27-5-8)22-15(18)23-13(10)24/h7-9,11,14,25-26H,3-6H2,1-2H3,(H,19,30)(H,21,22,23)/t8-,9-,11-,14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50224786 (2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C21H29ClN6O6/c1-21(31)15(29)13(9-33-20(30)25-11-4-2-3-5-11)34-18(21)28-10-23-14-16(24-12-6-7-32-8-12)26-19(22)27-17(14)28/h10-13,15,18,29,31H,2-9H2,1H3,(H,25,30)(H,24,26,27)/t12-,13-,15-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	307	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair

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