Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50000508   

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))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from whole brain membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006695 (8-(Octahydro-2,5-methano-pentalen-7-yl)-1,3-diprop...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3CC1CC3C2 |TLB:6:17:19:24.25,6:17:21:24.23,THB:23:22:19:24.25,23:24:19:17.22.21,25:18:21:24.23,25:24:17.18.19:21,(-1.61,-5.86,;-1.61,-4.3,;-.27,-3.53,;-.27,-1.98,;1.08,-1.2,;2.55,-1.69,;3.48,-.43,;2.55,.83,;1.08,.34,;-.27,1.12,;-.27,2.68,;-1.6,.34,;-2.93,1.12,;-2.96,2.68,;-4.29,3.45,;-1.6,-1.2,;-2.93,-1.98,;5.02,-.4,;5.3,-3.04,;4.83,-1.82,;5.84,-.99,;6.17,.27,;7.49,.35,;7.96,-.87,;6.94,-1.7,;6.61,-2.96,)| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-18-16(19(25)24(6-4-2)20(23)26)21-17(22-18)15-13-7-11-8-14(15)10-12(11)9-13/h11-15H,3-10H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006714 (7-Methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004562 (CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N6-[3H]-cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006709 (1,3-Diallyl-7-methyl-8-[2-(3,4,5-trimethoxy-phenyl...) Show SMILES COc1cc(\C=C\c2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3n2C)cc(OC)c1OC Show InChI InChI=1S/C23H26N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h7-10,13-14H,1-2,11-12H2,3-6H3/b10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004562 (CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006712 (1,3-Dipropyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C22H28N4O5/c1-6-10-25-20-18(21(27)26(11-7-2)22(25)28)23-17(24-20)9-8-14-12-15(29-3)19(31-5)16(13-14)30-4/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006703 (8-[(E)-2-(4-Methoxy-phenyl)-vinyl]-7-methyl-1,3-di...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-5-13-24-19-18(20(26)25(14-6-2)21(24)27)23(3)17(22-19)12-9-15-7-10-16(28-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3/b12-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006705 (1,3,7-Trimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vin...) Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC Show InChI InChI=1S/C19H22N4O5/c1-21-14(20-17-15(21)18(24)23(3)19(25)22(17)2)8-7-11-9-12(26-4)16(28-6)13(10-11)27-5/h7-10H,1-6H3/b8-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004562 (CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006713 (1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...) Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006713 (1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...) Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat forebrain membranes using N6-[3H]-cyclohexyladenosine				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006715 (1,3-Diallyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-...) Show SMILES COc1cc(C=Cc2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4| Show InChI InChI=1S/C22H24N4O5/c1-6-10-25-20-18(21(27)26(11-7-2)22(25)28)23-17(24-20)9-8-14-12-15(29-3)19(31-5)16(13-14)30-4/h6-9,12-13H,1-2,10-11H2,3-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006707 (8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...) Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006720 (1,3-Dibutyl-7-methyl-8-[2-(3,4,5-trimethoxy-phenyl...) Show SMILES CCCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C25H34N4O5/c1-7-9-13-28-23-21(24(30)29(25(28)31)14-10-8-2)27(3)20(26-23)12-11-17-15-18(32-4)22(34-6)19(16-17)33-5/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N6-[3H]-cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006716 (1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4| Show InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006717 (1,3-Dibutyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-...) Show SMILES CCCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCCC)c1=O |w:9.9| Show InChI InChI=1S/C24H32N4O5/c1-6-8-12-27-22-20(23(29)28(24(27)30)13-9-7-2)25-19(26-22)11-10-16-14-17(31-3)21(33-5)18(15-16)32-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006700 (8-[2-(4-Methoxy-phenyl)-vinyl]-1,3-dipropyl-3,7-di...) Show SMILES CCCn1c2nc(C=Cc3ccc(OC)cc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C20H24N4O3/c1-4-12-23-18-17(19(25)24(13-5-2)20(23)26)21-16(22-18)11-8-14-6-9-15(27-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50004562 (CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat forebrain membranes using N6-[3H]-cyclohexyladenosine				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006696 (8-(2-Cyclopentyl-ethyl)-1,3-dipropyl-3,7-dihydro-p...) Show SMILES CCCn1c2nc(CCC3CCCC3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H28N4O2/c1-3-11-21-16-15(17(23)22(12-4-2)18(21)24)19-14(20-16)10-9-13-7-5-6-8-13/h13H,3-12H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006703 (8-[(E)-2-(4-Methoxy-phenyl)-vinyl]-7-methyl-1,3-di...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-5-13-24-19-18(20(26)25(14-6-2)21(24)27)23(3)17(22-19)12-9-15-7-10-16(28-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3/b12-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat forebrain membranes using N6-[3H]-cyclohexyladenosine				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006695 (8-(Octahydro-2,5-methano-pentalen-7-yl)-1,3-diprop...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3CC1CC3C2 |TLB:6:17:19:24.25,6:17:21:24.23,THB:23:22:19:24.25,23:24:19:17.22.21,25:18:21:24.23,25:24:17.18.19:21,(-1.61,-5.86,;-1.61,-4.3,;-.27,-3.53,;-.27,-1.98,;1.08,-1.2,;2.55,-1.69,;3.48,-.43,;2.55,.83,;1.08,.34,;-.27,1.12,;-.27,2.68,;-1.6,.34,;-2.93,1.12,;-2.96,2.68,;-4.29,3.45,;-1.6,-1.2,;-2.93,-1.98,;5.02,-.4,;5.3,-3.04,;4.83,-1.82,;5.84,-.99,;6.17,.27,;7.49,.35,;7.96,-.87,;6.94,-1.7,;6.61,-2.96,)| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-18-16(19(25)24(6-4-2)20(23)26)21-17(22-18)15-13-7-11-8-14(15)10-12(11)9-13/h11-15H,3-10H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat forebrain membranes using N6-[3H]-cyclohexyladenosine				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82032 (1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...) Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from whole brain membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	593	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006699 (3-Propyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7...) Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)[nH]c1=O |w:8.8| Show InChI InChI=1S/C19H22N4O5/c1-5-8-23-17-15(18(24)22-19(23)25)20-14(21-17)7-6-11-9-12(26-2)16(28-4)13(10-11)27-3/h6-7,9-10H,5,8H2,1-4H3,(H,20,21)(H,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006712 (1,3-Dipropyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C22H28N4O5/c1-6-10-25-20-18(21(27)26(11-7-2)22(25)28)23-17(24-20)9-8-14-12-15(29-3)19(31-5)16(13-14)30-4/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006721 (8-(3-Phenyl-allyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc(CC=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:9.9| Show InChI InChI=1S/C20H24N4O2/c1-3-13-23-18-17(19(25)24(14-4-2)20(23)26)21-16(22-18)12-8-11-15-9-6-5-7-10-15/h5-11H,3-4,12-14H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006714 (7-Methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat forebrain membranes using N6-[3H]-cyclohexyladenosine				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM82032 (1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...) Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006708 (7-Methyl-8-phenethyl-1,3-dipropyl-3,7-dihydro-puri...) Show SMILES CCCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H26N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006722 (8-(2-Cyclopentyl-ethyl)-7-methyl-1,3-dipropyl-3,7-...) Show SMILES CCCn1c2nc(CCC3CCCC3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H30N4O2/c1-4-12-22-17-16(18(24)23(13-5-2)19(22)25)21(3)15(20-17)11-10-14-8-6-7-9-14/h14H,4-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006703 (8-[(E)-2-(4-Methoxy-phenyl)-vinyl]-7-methyl-1,3-di...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-5-13-24-19-18(20(26)25(14-6-2)21(24)27)23(3)17(22-19)12-9-15-7-10-16(28-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3/b12-9+	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
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006717 (1,3-Dibutyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-...) Show SMILES CCCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCCC)c1=O |w:9.9| Show InChI InChI=1S/C24H32N4O5/c1-6-8-12-27-22-20(23(29)28(24(27)30)13-9-7-2)25-19(26-22)11-10-16-14-17(31-3)21(33-5)18(15-16)32-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,25,26)	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
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair

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