Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50034393   

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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50216380 (CHEMBL387801 | naphthalenesulfon-1-yl-[2-oxo-2-(4-...) Show SMILES O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3S/c28-24(27-17-15-26(16-18-27)14-13-20-7-2-1-3-8-20)19-25-31(29,30)23-12-6-10-21-9-4-5-11-22(21)23/h1-12,25H,13-19H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx				J Med Chem 50: 3706-15 (2007) Article DOI: 10.1021/jm070443e BindingDB Entry DOI: 10.7270/Q2PN95CS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50024563 (CHEMBL3330574) Show SMILES CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1 Show InChI InChI=1S/C24H22ClNOS/c1-24(2,3)15-19-20(14-9-16-7-5-4-6-8-16)28-23(26)21(19)22(27)17-10-12-18(25)13-11-17/h4-8,10-13H,15,26H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87...				J Med Chem 57: 7673-86 (2014) Article DOI: 10.1021/jm5008853 BindingDB Entry DOI: 10.7270/Q2SQ91ZC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253852 ((2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophe...) Show SMILES CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253308 ((2-amino-4-((4-(pyrimidin-2-yl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ncccn2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5OS/c21-16-4-2-14(3-5-16)18(27)17-15(13-28-19(17)22)12-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,13H,8-12,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253307 ((2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4OS/c22-17-6-4-15(5-7-17)20(27)19-16(14-28-21(19)23)13-25-9-11-26(12-10-25)18-3-1-2-8-24-18/h1-8,14H,9-13,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253928 ((2-amino-4-((4-(4-(trifluoromethyl)phenyl)piperazi...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClF3N3OS/c24-18-5-1-15(2-6-18)21(31)20-16(14-32-22(20)28)13-29-9-11-30(12-10-29)19-7-3-17(4-8-19)23(25,26)27/h1-8,14H,9-13,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253927 (4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)me...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253926 ((2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O3S/c24-17-3-1-15(2-4-17)22(28)21-16(13-31-23(21)25)12-26-7-9-27(10-8-26)18-5-6-19-20(11-18)30-14-29-19/h1-6,11,13H,7-10,12,14,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253925 ((2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thioph...) Show SMILES Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C23H24ClN3OS/c1-16-2-8-20(9-3-16)27-12-10-26(11-13-27)14-18-15-29-23(25)21(18)22(28)17-4-6-19(24)7-5-17/h2-9,15H,10-14,25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253892 ((2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21Cl2N3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253891 ((2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClFN3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253890 ((2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophe...) Show SMILES Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN3OS/c24-20-8-6-18(7-9-20)22(28)21-19(16-29-23(21)25)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253889 ((2-amino-4-((4-phenylpiperazin-1-yl)methyl)thiophe...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccccc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h1-9,15H,10-14,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253888 ((2-amino-4-((4-cyclohexylpiperazin-1-yl)methyl)thi...) Show SMILES Nc1scc(CN2CCN(CC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H28ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253852 ((2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophe...) Show SMILES CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253308 ((2-amino-4-((4-(pyrimidin-2-yl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ncccn2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5OS/c21-16-4-2-14(3-5-16)18(27)17-15(13-28-19(17)22)12-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,13H,8-12,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253307 ((2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4OS/c22-17-6-4-15(5-7-17)20(27)19-16(14-28-21(19)23)13-25-9-11-26(12-10-25)18-3-1-2-8-24-18/h1-8,14H,9-13,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253928 ((2-amino-4-((4-(4-(trifluoromethyl)phenyl)piperazi...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClF3N3OS/c24-18-5-1-15(2-6-18)21(31)20-16(14-32-22(20)28)13-29-9-11-30(12-10-29)19-7-3-17(4-8-19)23(25,26)27/h1-8,14H,9-13,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253927 (4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)me...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253926 ((2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O3S/c24-17-3-1-15(2-4-17)22(28)21-16(13-31-23(21)25)12-26-7-9-27(10-8-26)18-5-6-19-20(11-18)30-14-29-19/h1-6,11,13H,7-10,12,14,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253925 ((2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thioph...) Show SMILES Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C23H24ClN3OS/c1-16-2-8-20(9-3-16)27-12-10-26(11-13-27)14-18-15-29-23(25)21(18)22(28)17-4-6-19(24)7-5-17/h2-9,15H,10-14,25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253892 ((2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21Cl2N3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253891 ((2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClFN3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253890 ((2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophe...) Show SMILES Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN3OS/c24-20-8-6-18(7-9-20)22(28)21-19(16-29-23(21)25)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253889 ((2-amino-4-((4-phenylpiperazin-1-yl)methyl)thiophe...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccccc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h1-9,15H,10-14,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253888 ((2-amino-4-((4-cyclohexylpiperazin-1-yl)methyl)thi...) Show SMILES Nc1scc(CN2CCN(CC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H28ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87...				J Med Chem 57: 7673-86 (2014) Article DOI: 10.1021/jm5008853 BindingDB Entry DOI: 10.7270/Q2SQ91ZC
					More data for this Ligand-Target Pair

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