Compile Data Set for Download or QSAR

Found 1260 hits with Last Name = 'schlenk' and Initial = 'm'   

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))	BDBM50494549 (CHEMBL3093327) Show SMILES [H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)| Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)/t8-,9-,10-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to rat adenosine A1 receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50494549 (CHEMBL3093327) Show SMILES [H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)| Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)/t8-,9-,10-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.884	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat adenosine A2a receptor				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain after 60 mins by scintillation counting analysis				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to rat adenosine A2A receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50491511 (CHEMBL2382439) Show SMILES COc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C19H16N2O3S/c1-24-14-8-4-6-13(12-14)7-5-11-17(22)21-19-20-16-10-3-2-9-15(16)18(23)25-19/h2-10,12H,11H2,1H3,(H,20,21,22)/b7-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50491510 (CHEMBL2382440) Show SMILES Clc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C18H13ClN2O2S/c19-13-7-3-5-12(11-13)6-4-10-16(22)21-18-20-15-9-2-1-8-14(15)17(23)24-18/h1-9,11H,10H2,(H,20,21,22)/b6-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	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	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50491512 (CHEMBL2382435) Show SMILES COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C19H18N2O3S/c1-24-14-8-4-6-13(12-14)7-5-11-17(22)21-19-20-16-10-3-2-9-15(16)18(23)25-19/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50491508 (CHEMBL2382425) Show SMILES O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1 Show InChI InChI=1S/C16H14N2O2S2/c19-13(8-4-7-11-5-2-1-3-6-11)17-16-18-14-12(9-10-21-14)15(20)22-16/h1-3,5-6,9-10H,4,7-8H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	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	PDB Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491505 (CHEMBL2382434) Show SMILES O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1 Show InChI InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491500 (CHEMBL2380383) Show SMILES Clc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(=O)Nc2nc3ccccc3c(=O)s2)cc1 Show InChI InChI=1S/C27H23ClN4O3S/c28-21-11-5-18(6-12-21)17-31-13-15-32(16-14-31)25(34)20-9-7-19(8-10-20)24(33)30-27-29-23-4-2-1-3-22(23)26(35)36-27/h1-12H,13-17H2,(H,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50491503 (CHEMBL2382438) Show SMILES O=C(C\C=C\c1ccccc1)Nc1nc2ccccc2c(=O)s1 Show InChI InChI=1S/C18H14N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-11H,12H2,(H,19,20,21)/b9-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at rat adenosine A2A receptor				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491501 (CHEMBL2380382) Show SMILES Clc1cccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C27H23ClN4O3S/c28-21-5-3-4-18(16-21)17-31-12-14-32(15-13-31)25(34)20-10-8-19(9-11-20)24(33)30-27-29-23-7-2-1-6-22(23)26(35)36-27/h1-11,16H,12-15,17H2,(H,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491495 (CHEMBL2382431) Show SMILES COc1cccc(\C=C\C(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C18H14N2O3S/c1-23-13-6-4-5-12(11-13)9-10-16(21)20-18-19-15-8-3-2-7-14(15)17(22)24-18/h2-11H,1H3,(H,19,20,21)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50534182 (CHEMBL4554778) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50491509 (CHEMBL2382423) Show SMILES Clc1ccc2c(c1)nc(NC(=O)CCCc1ccccc1)sc2=O Show InChI InChI=1S/C18H15ClN2O2S/c19-13-9-10-14-15(11-13)20-18(24-17(14)23)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491497 (CHEMBL2380386) Show SMILES COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C18H16N2O3S/c1-23-13-6-4-5-12(11-13)9-10-16(21)20-18-19-15-8-3-2-7-14(15)17(22)24-18/h2-8,11H,9-10H2,1H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534190 (CHEMBL4582207) Show SMILES Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-11-10-24(12-15(25)21-17)9-3-4-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534179 (CHEMBL4483392) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-7-6-26(10-15(27)23-17)9-14-11-30-18(22-14)12-4-3-5-13(21)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534182 (CHEMBL4554778) Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534166 (CHEMBL4560229) Show SMILES Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat A1 receptor by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin)				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491507 (CHEMBL2380385) Show SMILES O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1 Show InChI InChI=1S/C17H14N2O2S/c20-15(11-10-12-6-2-1-3-7-12)19-17-18-14-9-5-4-8-13(14)16(21)22-17/h1-9H,10-11H2,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491508 (CHEMBL2382425) Show SMILES O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1 Show InChI InChI=1S/C16H14N2O2S2/c19-13(8-4-7-11-5-2-1-3-6-11)17-16-18-14-12(9-10-21-14)15(20)22-16/h1-3,5-6,9-10H,4,7-8H2,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50491501 (CHEMBL2380382) Show SMILES Clc1cccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C27H23ClN4O3S/c28-21-5-3-4-18(16-21)17-31-12-14-32(15-13-31)25(34)20-10-8-19(9-11-20)24(33)30-27-29-23-7-2-1-6-22(23)26(35)36-27/h1-11,16H,12-15,17H2,(H,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	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	PDB Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	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	PDB Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491511 (CHEMBL2382439) Show SMILES COc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C19H16N2O3S/c1-24-14-8-4-6-13(12-14)7-5-11-17(22)21-19-20-16-10-3-2-9-15(16)18(23)25-19/h2-10,12H,11H2,1H3,(H,20,21,22)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50491509 (CHEMBL2382423) Show SMILES Clc1ccc2c(c1)nc(NC(=O)CCCc1ccccc1)sc2=O Show InChI InChI=1S/C18H15ClN2O2S/c19-13-9-10-14-15(11-13)20-18(24-17(14)23)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysi...				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50491518 (CHEMBL2382420) Show SMILES Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1 Show InChI InChI=1S/C19H18N2O2S/c1-13-10-11-16-15(12-13)18(23)24-19(20-16)21-17(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50494595 (CHEMBL3093323) Show SMILES Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C19H25N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h1,14H,4-13H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534172 (CHEMBL4451303) Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H23N5O2/c1-22-18-17(19(26)23(2)20(22)27)25-11-10-24(12-16(25)21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,15H,5,7,9-12H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50491507 (CHEMBL2380385) Show SMILES O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1 Show InChI InChI=1S/C17H14N2O2S/c20-15(11-10-12-6-2-1-3-7-12)19-17-18-14-9-5-4-8-13(14)16(21)22-17/h1-9H,10-11H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50494585 (CHEMBL3093315) Show SMILES Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C17H17N5O2S/c1-3-7-22-15(23)13-14(19(2)17(22)24)18-16-20(8-5-9-21(13)16)11-12-6-4-10-25-12/h1,4,6,10H,5,7-9,11H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491512 (CHEMBL2382435) Show SMILES COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C19H18N2O3S/c1-24-14-8-4-6-13(12-14)7-5-11-17(22)21-19-20-16-10-3-2-9-15(16)18(23)25-19/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50491511 (CHEMBL2382439) Show SMILES COc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1 Show InChI InChI=1S/C19H16N2O3S/c1-24-14-8-4-6-13(12-14)7-5-11-17(22)21-19-20-16-10-3-2-9-15(16)18(23)25-19/h2-10,12H,11H2,1H3,(H,20,21,22)/b7-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysi...				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491503 (CHEMBL2382438) Show SMILES O=C(C\C=C\c1ccccc1)Nc1nc2ccccc2c(=O)s1 Show InChI InChI=1S/C18H14N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-11H,12H2,(H,19,20,21)/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50491503 (CHEMBL2382438) Show SMILES O=C(C\C=C\c1ccccc1)Nc1nc2ccccc2c(=O)s1 Show InChI InChI=1S/C18H14N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-11H,12H2,(H,19,20,21)/b9-6+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analy...				J Med Chem 56: 4580-96 (2013) Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR
					More data for this Ligand-Target Pair

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