Compile Data Set for Download or QSAR

Found 1523 hits with Last Name = 'kim' and Initial = 'yc'   

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 A3 (Homo sapiens (Human))	BDBM50059414 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1 Show InChI InChI=1S/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(35)39-20-23-14-17-25(18-15-23)33(36)37/h4-15,17-18,26,35H,3,20H2,1-2H3/b31-28-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM85776 (CAS_393594 | CHEMBL89852 | MRS1191 | NSC_393594) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29| Show InChI InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26-27H,3,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50053927 (7-Methyl-2-phenyl-4-((E)-styryl)-1,4-dihydro-quino...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)c2cc(C(=O)OCC)c(C)cc2N=C1c1ccccc1 |c:29| Show InChI InChI=1S/C30H29NO4/c1-4-34-29(32)24-19-25-23(17-16-21-12-8-6-9-13-21)27(30(33)35-5-2)28(22-14-10-7-11-15-22)31-26(25)18-20(24)3/h6-19,23,27H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17B (Homo sapiens (Human))	BDBM50166121 (CHEMBL3797480) Show SMILES CCCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1 Show InChI InChI=1S/C21H20N4O3/c1-2-3-8-17(26)22-12-9-10-16-14(11-12)18(21(27)24-16)20-19(25-28)13-6-4-5-7-15(13)23-20/h4-7,9-11,23,28H,2-3,8H2,1H3,(H,22,26)(H,24,27)/b20-18-,25-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Competitive inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated for 2 hrs by Lineweaver-Burk plot analysis in presence of...				Bioorg Med Chem Lett 26: 2719-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.111 BindingDB Entry DOI: 10.7270/Q2N29ZTZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50065757 ((S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...) Show SMILES C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1 Show InChI InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.362	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50065774 ((R)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...) Show SMILES C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1 Show InChI InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50053924 (3,6-Dichloro-2-(2-isopropoxy-4-methyl-phenyl)-chro...) Show SMILES CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl Show InChI InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50065756 (CHEMBL317580 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C27H18ClN5O2/c28-19-13-14-21-20(16-19)25-30-24(22-12-7-15-35-22)32-33(25)27(29-21)31-26(34)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,(H,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.586	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50053929 (CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...) Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50053929 (CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...) Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity for rat Adenosine A3 receptor in CHO cells using [125I]iodo-AB-MECA				J Med Chem 46: 3775-7 (2003) Article DOI: 10.1021/jm034098e BindingDB Entry DOI: 10.7270/Q2W959XH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50065775 (5-Amino-pentanoic acid (9-chloro-2-furan-2-yl-[1,2...) Show SMILES NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H17ClN6O2/c19-11-6-7-13-12(10-11)17-23-16(14-4-3-9-27-14)24-25(17)18(21-13)22-15(26)5-1-2-8-20/h3-4,6-7,9-10H,1-2,5,8,20H2,(H,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50065771 (4-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES OC(=O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14ClN5O4/c19-10-6-7-12-11(9-10)17-22-16(13-3-2-8-28-13)23-24(17)18(20-12)21-14(25)4-1-5-15(26)27/h2-3,6-9H,1,4-5H2,(H,26,27)(H,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					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
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053936 (4-Amino-N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1...) Show SMILES NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H15ClN6O2/c18-10-5-6-12-11(9-10)16-22-15(13-3-2-8-26-13)23-24(16)17(20-12)21-14(25)4-1-7-19/h2-3,5-6,8-9H,1,4,7,19H2,(H,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086173 (CHEMBL17002 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086168 (2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086167 (2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H26N6O6/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)37-15-20(32)26-17-7-9-18(10-8-17)31(35)36/h5-12H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity for human Adenosine A2A receptor from HEK-293 cells				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50025687 (2-[4-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 Show InChI InChI=1S/C24H25N5O4/c1-4-28-22-20(23(31)29(5-2)24(28)32)26-21(27-22)16-8-12-18(13-9-16)33-14-19(30)25-17-10-6-15(3)7-11-17/h6-13H,4-5,14H2,1-3H3,(H,25,30)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50021080 (2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O4/c1-4-14-30-24-22(25(33)31(15-5-2)26(30)34)28-23(29-24)18-8-12-20(13-9-18)35-16-21(32)27-19-10-6-17(3)7-11-19/h6-13H,4-5,14-16H2,1-3H3,(H,27,32)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086166 (CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-diprop...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,27,32)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086165 (2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 Show InChI InChI=1S/C25H26IN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086174 (2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H26F3N5O4/c1-3-13-33-23-21(24(36)34(14-4-2)25(33)37)31-22(32-23)16-5-11-19(12-6-16)38-15-20(35)30-18-9-7-17(8-10-18)26(27,28)29/h5-12H,3-4,13-15H2,1-2H3,(H,30,35)(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086182 (2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H26FN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086184 (CHEMBL17003 | N-(4-Bromo-phenyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H26BrN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086164 (CHEMBL275427 | N-(4-Chloro-phenyl)-2-[4-(2,6-dioxo...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H26ClN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086186 (CHEMBL17341 | N-(2-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)18-10-12-19(13-11-18)37-16-22(34)28-21-9-7-6-8-20(21)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50053925 (CHEMBL317382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086177 (4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NC)cc1 Show InChI InChI=1S/C27H30N6O5/c1-4-14-32-24-22(26(36)33(15-5-2)27(32)37)30-23(31-24)17-8-12-20(13-9-17)38-16-21(34)29-19-10-6-18(7-11-19)25(35)28-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50065766 (2-(4-Amino-phenyl)-N-(9-chloro-2-furan-2-yl-[1,2,4...) Show SMILES Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C21H15ClN6O2/c22-13-5-8-16-15(11-13)20-26-19(17-2-1-9-30-17)27-28(20)21(24-16)25-18(29)10-12-3-6-14(23)7-4-12/h1-9,11H,10,23H2,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50065758 (CHEMBL98570 | [4-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H25ClN6O4/c1-23(2,3)34-22(32)25-11-5-4-8-18(31)27-21-26-16-10-9-14(24)13-15(16)20-28-19(29-30(20)21)17-7-6-12-33-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,25,32)(H,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086181 (CHEMBL17202 | N-(2-Acetyl-phenyl)-3-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)Nc2ccccc2C(C)=O)cc1 |w:22.24| Show InChI InChI=1S/C28H29N5O4/c1-4-16-32-26-24(27(36)33(17-5-2)28(32)37)30-25(31-26)20-13-10-19(11-14-20)12-15-23(35)29-22-9-7-6-8-21(22)18(3)34/h6-15H,4-5,16-17H2,1-3H3,(H,29,35)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50021085 (2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1 Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086172 (4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 Show InChI InChI=1S/C27H29N5O6/c1-4-14-31-24-22(25(34)32(15-5-2)27(31)36)29-23(30-24)17-8-12-20(13-9-17)38-16-21(33)28-19-10-6-18(7-11-19)26(35)37-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50086163 (CHEMBL17294 | N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |w:22.24,t:32| Show InChI InChI=1S/C26H28N6O5/c1-5-13-30-22-20(25(36)31(14-6-2)26(30)37)27-21(28-22)18-10-7-17(8-11-18)9-12-19(33)29-32-23(34)15(3)16(4)24(32)35/h7-12H,5-6,13-14H2,1-4H3,(H,27,28)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50086168 (2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity for human Adenosine A1 receptor from HEK-293 cells				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086187 (CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50086166 (CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-diprop...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,27,32)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086178 (2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)c2ccccc2)cc1 Show InChI InChI=1S/C26H29N5O4/c1-4-15-30-24-22(25(33)31(16-5-2)26(30)34)27-23(28-24)18-11-13-20(14-12-18)35-17-21(32)29(3)19-9-7-6-8-10-19/h6-14H,4-5,15-17H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021085 (2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1 Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50086164 (CHEMBL275427 | N-(4-Chloro-phenyl)-2-[4-(2,6-dioxo...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H26ClN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50455070 (CHEMBL2114300) Show SMILES CO.CC(NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H21ClN6O4.CH4O/c1-11(23-20(30)32-21(2,3)4)18(29)26-19-24-14-8-7-12(22)10-13(14)17-25-16(27-28(17)19)15-6-5-9-31-15;1-2/h5-11H,1-4H3,(H,23,30)(H,24,26,29);2H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50065755 (CHEMBL319539 | [2-(9-Chloro-2-furan-2-yl-[1,2,4]tr...) Show SMILES CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H21ClN6O4/c1-21(2,3)32-20(30)23-9-8-16(29)25-19-24-14-7-6-12(22)11-13(14)18-26-17(27-28(18)19)15-5-4-10-31-15/h4-7,10-11H,8-9H2,1-3H3,(H,23,30)(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK-293 cells in presence of [125I]-IABA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50065766 (2-(4-Amino-phenyl)-N-(9-chloro-2-furan-2-yl-[1,2,4...) Show SMILES Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C21H15ClN6O2/c22-13-5-8-16-15(11-13)20-26-19(17-2-1-9-30-17)27-28(20)21(24-16)25-18(29)10-12-3-6-14(23)7-4-12/h1-9,11H,10,23H2,(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50065775 (5-Amino-pentanoic acid (9-chloro-2-furan-2-yl-[1,2...) Show SMILES NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H17ClN6O2/c19-11-6-7-13-12(10-11)17-23-16(14-4-3-9-27-14)24-25(17)18(21-13)22-15(26)5-1-2-8-20/h3-4,6-7,9-10H,1-2,5,8,20H2,(H,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat brain adenosine A1 receptor vs [3H]-R-PIA				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair

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