Compile Data Set for Download or QSAR

Found 2373 hits with Last Name = 'thomas' and Initial = 'cj'   

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 (Homo sapiens (Human))	BDBM50170833 (5-[8-(Isopropyl-methyl-amino)-9-methyl-9H-purin-6-...) Show SMILES CC(C)N(C)c1nc2c(NC3CC4CC3CC4O)ncnc2n1C |THB:17:16:13:10.11| Show InChI InChI=1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for human adenosine A1 receptor				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ...				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170830 (CHEMBL187458 | N*6*-Cycloheptyl-N*2*-phenyl-9H-pur...) Show SMILES C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C18H22N6/c1-2-5-9-13(8-4-1)21-17-15-16(20-12-19-15)23-18(24-17)22-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H3,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170816 (CHEMBL363419 | Cyclohexyl-(2-phenoxy-9H-purin-6-yl...) Show SMILES C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170822 (CHEMBL188592 | N*6*-Cyclohexyl-N*2*-phenyl-9H-puri...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170817 (CHEMBL188967 | N*6*-Cyclohexyl-9-methyl-N*2*-pheny...) Show SMILES Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C18H22N6/c1-24-12-19-15-16(20-13-8-4-2-5-9-13)22-18(23-17(15)24)21-14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170823 (CHEMBL366216 | N*6*-Cyclohexyl-N*2*-(4-dimethylami...) Show SMILES CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170827 (CHEMBL446698 | N*6*-Bicyclo[2.2.1]hept-2-yl-N*2*-(...) Show SMILES C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 |TLB:7:6:3:1.0| Show InChI InChI=1S/C22H27N7O/c1-2-15-11-14(1)12-18(15)26-21-19-20(24-13-23-19)27-22(28-21)25-16-3-5-17(6-4-16)29-7-9-30-10-8-29/h3-6,13-15,18H,1-2,7-12H2,(H3,23,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170818 (CHEMBL191270 | Cyclohexyl-(2-phenylsulfanyl-9H-pur...) Show SMILES C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged DYRK1B (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ...				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303409 (4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...) Show SMILES Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N Show InChI InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170821 (CHEMBL365026 | N*6*-Cyclooctyl-N*2*-phenyl-9H-puri...) Show SMILES C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170838 (CHEMBL188345 | N*6*-Cycloheptyl-N*2*-(4-morpholin-...) Show SMILES C1CN(CCO1)c1ccc(Nc2nc(NC3CCCCCC3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C22H29N7O/c1-2-4-6-16(5-3-1)25-21-19-20(24-15-23-19)27-22(28-21)26-17-7-9-18(10-8-17)29-11-13-30-14-12-29/h7-10,15-16H,1-6,11-14H2,(H3,23,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170831 (CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170836 (CHEMBL190147 | N*2*-Benzyl-N*6*-cyclohexyl-9H-puri...) Show SMILES C(Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)c1ccccc1 Show InChI InChI=1S/C18H22N6/c1-3-7-13(8-4-1)11-19-18-23-16-15(20-12-21-16)17(24-18)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H3,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170826 (CHEMBL188958 | N*6*-Cycloheptyl-9-methyl-N*2*-phen...) Show SMILES Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C19H24N6/c1-25-13-20-16-17(21-14-9-5-2-3-6-10-14)23-19(24-18(16)25)22-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170815 (CHEMBL191551 | N*6*-Cyclohexyl-N*2*-ethyl-9H-purin...) Show SMILES CCNc1nc(NC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C13H20N6/c1-2-14-13-18-11-10(15-8-16-11)12(19-13)17-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H3,14,15,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170817 (CHEMBL188967 | N*6*-Cyclohexyl-9-methyl-N*2*-pheny...) Show SMILES Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C18H22N6/c1-24-12-19-15-16(20-13-8-4-2-5-9-13)22-18(23-17(15)24)21-14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170828 (CHEMBL188496 | N*6*-Cyclopentyl-N*2*-(4-morpholin-...) Show SMILES C1CCC(C1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C20H25N7O/c1-2-4-14(3-1)23-19-17-18(22-13-21-17)25-20(26-19)24-15-5-7-16(8-6-15)27-9-11-28-12-10-27/h5-8,13-14H,1-4,9-12H2,(H3,21,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170820 (CHEMBL426076 | N*6*-Cyclohexyl-N*2*-(2-ethyl-pheny...) Show SMILES CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C19H24N6/c1-2-13-8-6-7-11-15(13)23-19-24-17-16(20-12-21-17)18(25-19)22-14-9-4-3-5-10-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H3,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170829 (CHEMBL188541 | N*6*-Ethyl-N*2*-(4-morpholin-4-yl-p...) Show SMILES CCNc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C17H21N7O/c1-2-18-15-14-16(20-11-19-14)23-17(22-15)21-12-3-5-13(6-4-12)24-7-9-25-10-8-24/h3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170832 (CHEMBL362740 | N*6*-Cyclohexyl-N*2*-(4-phenyl-pipe...) Show SMILES C1CCC(CC1)Nc1nc(NN2CCC(CC2)c2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C22H29N7/c1-3-7-16(8-4-1)17-11-13-29(14-12-17)28-22-26-20-19(23-15-24-20)21(27-22)25-18-9-5-2-6-10-18/h1,3-4,7-8,15,17-18H,2,5-6,9-14H2,(H3,23,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170822 (CHEMBL188592 | N*6*-Cyclohexyl-N*2*-phenyl-9H-puri...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170830 (CHEMBL187458 | N*6*-Cycloheptyl-N*2*-phenyl-9H-pur...) Show SMILES C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C18H22N6/c1-2-5-9-13(8-4-1)21-17-15-16(20-12-19-15)23-18(24-17)22-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H3,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170825 (CHEMBL191522 | N*6*-Cyclobutyl-N*2*-(4-morpholin-4...) Show SMILES C1CC(C1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C19H23N7O/c1-2-13(3-1)22-18-16-17(21-12-20-16)24-19(25-18)23-14-4-6-15(7-5-14)26-8-10-27-11-9-26/h4-7,12-13H,1-3,8-11H2,(H3,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170834 (CHEMBL364948 | N*6*-Cyclopropyl-N*2*-(4-morpholin-...) Show SMILES C1CC1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C18H21N7O/c1-2-12(1)21-17-15-16(20-11-19-15)23-18(24-17)22-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h3-6,11-12H,1-2,7-10H2,(H3,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170817 (CHEMBL188967 | N*6*-Cyclohexyl-9-methyl-N*2*-pheny...) Show SMILES Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C18H22N6/c1-24-12-19-15-16(20-13-8-4-2-5-9-13)22-18(23-17(15)24)21-14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170826 (CHEMBL188958 | N*6*-Cycloheptyl-9-methyl-N*2*-phen...) Show SMILES Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C19H24N6/c1-25-13-20-16-17(21-14-9-5-2-3-6-10-14)23-19(24-18(16)25)22-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170824 (6-N-cyclohexyl-2-N-(naphthalen-2-yl)-1H-purine-2,6...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc3ccccc3c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H22N6/c1-2-8-16(9-3-1)24-20-18-19(23-13-22-18)26-21(27-20)25-17-11-10-14-6-4-5-7-15(14)12-17/h4-7,10-13,16H,1-3,8-9H2,(H3,22,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170822 (CHEMBL188592 | N*6*-Cyclohexyl-N*2*-phenyl-9H-puri...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170837 (CHEMBL187336 | N*6*-Cyclooctyl-N*2*-(4-morpholin-4...) Show SMILES C1CN(CCO1)c1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C23H31N7O/c1-2-4-6-17(7-5-3-1)26-22-20-21(25-16-24-20)28-23(29-22)27-18-8-10-19(11-9-18)30-12-14-31-15-13-30/h8-11,16-17H,1-7,12-15H2,(H3,24,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170826 (CHEMBL188958 | N*6*-Cycloheptyl-9-methyl-N*2*-phen...) Show SMILES Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C19H24N6/c1-25-13-20-16-17(21-14-9-5-2-3-6-10-14)23-19(24-18(16)25)22-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170818 (CHEMBL191270 | Cyclohexyl-(2-phenylsulfanyl-9H-pur...) Show SMILES C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170820 (CHEMBL426076 | N*6*-Cyclohexyl-N*2*-(2-ethyl-pheny...) Show SMILES CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C19H24N6/c1-2-13-8-6-7-11-15(13)23-19-24-17-16(20-12-21-17)18(25-19)22-14-9-4-3-5-10-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H3,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170823 (CHEMBL366216 | N*6*-Cyclohexyl-N*2*-(4-dimethylami...) Show SMILES CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170830 (CHEMBL187458 | N*6*-Cycloheptyl-N*2*-phenyl-9H-pur...) Show SMILES C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C18H22N6/c1-2-5-9-13(8-4-1)21-17-15-16(20-12-19-15)23-18(24-17)22-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H3,19,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170821 (CHEMBL365026 | N*6*-Cyclooctyl-N*2*-phenyl-9H-puri...) Show SMILES C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170839 (CHEMBL187794 | N*2*-Biphenyl-4-yl-N*6*-cyclohexyl-...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)-c2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C23H24N6/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)27-23-28-21-20(24-15-25-21)22(29-23)26-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H3,24,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170823 (CHEMBL366216 | N*6*-Cyclohexyl-N*2*-(4-dimethylami...) Show SMILES CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170831 (CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170831 (CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170818 (CHEMBL191270 | Cyclohexyl-(2-phenylsulfanyl-9H-pur...) Show SMILES C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170816 (CHEMBL363419 | Cyclohexyl-(2-phenoxy-9H-purin-6-yl...) Show SMILES C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170816 (CHEMBL363419 | Cyclohexyl-(2-phenoxy-9H-purin-6-yl...) Show SMILES C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170827 (CHEMBL446698 | N*6*-Bicyclo[2.2.1]hept-2-yl-N*2*-(...) Show SMILES C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 |TLB:7:6:3:1.0| Show InChI InChI=1S/C22H27N7O/c1-2-15-11-14(1)12-18(15)26-21-19-20(24-13-23-19)27-22(28-21)25-16-3-5-17(6-4-16)29-7-9-30-10-8-29/h3-6,13-15,18H,1-2,7-12H2,(H3,23,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170827 (CHEMBL446698 | N*6*-Bicyclo[2.2.1]hept-2-yl-N*2*-(...) Show SMILES C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 |TLB:7:6:3:1.0| Show InChI InChI=1S/C22H27N7O/c1-2-15-11-14(1)12-18(15)26-21-19-20(24-13-23-19)27-22(28-21)25-16-3-5-17(6-4-16)29-7-9-30-10-8-29/h3-6,13-15,18H,1-2,7-12H2,(H3,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170821 (CHEMBL365026 | N*6*-Cyclooctyl-N*2*-phenyl-9H-puri...) Show SMILES C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [D835Y] (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MW8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 [D835Y] (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MW8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 [D835Y] (Homo sapiens (Human))	BDBM50377170 (CHEMBL256570 | US11254667, Compound I-2 | US115422...) Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MW8
					More data for this Ligand-Target Pair

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