Compile Data Set for Download or QSAR

Found 547 hits with Last Name = 'mulder-krieger' and Initial = 't'   

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 A2a (Homo sapiens (Human))	BDBM50202775 (8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...) Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50156616 ((7RS,9aRS)-5-[7-(3-fluoro-phenoxymethyl)-octahydro...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r| Show InChI InChI=1S/C23H25FN8O2/c24-16-3-1-4-18(11-16)34-14-15-6-7-17-13-31(9-8-30(17)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-5-2-10-33-19/h1-5,10-11,15,17H,6-9,12-14H2,(H2,25,26,27,28,29)/t15-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186588 (8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...) Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210813 (CHEMBL3916315) Show SMILES Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50262049 (CHEMBL469026 | tert-butyl 4-(3-(5-amino-2-(furan-2...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C24H27N7O3/c1-24(2,3)34-23(32)30-11-9-29(10-12-30)17-7-4-6-16(14-17)18-15-20-27-21(19-8-5-13-33-19)28-31(20)22(25)26-18/h4-8,13-15H,9-12H2,1-3H3,(H2,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205280 (2,6-diphenyl-8-isobutyl-1-deazapurine | CHEMBL2214...) Show SMILES CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210809 (CHEMBL3951351) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.81,-7.65,;24.48,-8.43,;23.14,-7.67,;21.81,-8.45,;21.83,-9.99,;23.17,-10.75,;24.49,-9.97,;20.5,-10.77,;20.51,-12.31,;21.85,-13.07,;21.86,-14.61,;20.53,-15.39,;20.54,-16.93,;21.88,-17.69,;21.9,-19.23,;20.57,-20.01,;20.58,-21.55,;19.24,-19.25,;17.9,-20.04,;19.22,-17.71,;19.2,-14.63,;19.19,-13.09,;17.87,-15.42,;16.52,-14.65,;15.2,-15.43,;15.21,-16.97,;16.55,-17.73,;17.88,-16.96,)| Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205281 (2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...) Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205286 (8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...) Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186599 (8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...) Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50161341 (4-(5-Bromo-furan-2-yl)-8-isopropyl-5H-indeno[1,2-d...) Show SMILES CC(C)c1ccc2Cc3c(nc(N)nc3-c3ccc(Br)o3)-c2c1 Show InChI InChI=1S/C18H16BrN3O/c1-9(2)10-3-4-11-8-13-16(12(11)7-10)21-18(20)22-17(13)14-5-6-15(19)23-14/h3-7,9H,8H2,1-2H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186590 (8-isopropyl-2,6-diphenyl-9H-purine | CHEMBL204780 ...) Show SMILES CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205285 (2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine | CHE...) Show SMILES CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257518 (CHEMBL4063313) Show SMILES O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)| Show InChI InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2/t18-,25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205283 (2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...) Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50173176 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C18H16N6O3/c19-15-17-22-16(14-2-1-9-27-14)23-24(17)10-13(21-15)18(26)20-8-7-11-3-5-12(25)6-4-11/h1-6,9-10,25H,7-8H2,(H2,19,21)(H,20,26)	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50262441 (2-Amino-4,6-di-furan-2-yl-nicotinonitrile | CHEMBL...) Show SMILES Nc1nc(cc(-c2ccco2)c1C#N)-c1ccco1 Show InChI InChI=1S/C14H9N3O2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159713 (4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CC(O)(Cc1ccncc1)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C19H16N6O2/c1-19(26,11-13-5-8-21-9-6-13)7-4-14-12-25-18(16(20)22-14)23-17(24-25)15-3-2-10-27-15/h2-3,5-6,8-10,12,26H,11H2,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50239036 (2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carbox...) Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 Show InChI InChI=1S/C17H14N6O2/c18-16-21-13(12-7-4-8-25-12)14-15(22-16)23(10-20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210817 (CHEMBL3966761) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(24.41,-7.47,;23.08,-8.25,;21.74,-7.49,;20.41,-8.27,;20.43,-9.81,;21.77,-10.57,;23.09,-9.79,;19.1,-10.59,;19.11,-12.13,;20.45,-12.9,;20.46,-14.44,;19.13,-15.21,;19.14,-16.75,;17.82,-17.53,;17.84,-19.07,;19.17,-19.83,;20.5,-19.06,;20.48,-17.52,;21.84,-19.81,;22.62,-21.13,;23.38,-19.79,;17.8,-14.45,;17.79,-12.91,;16.47,-15.24,;15.12,-14.48,;13.8,-15.25,;13.81,-16.79,;15.15,-17.56,;16.48,-16.78,)| Show InChI InChI=1S/C24H26N4O/c29-20-10-8-19(9-11-20)27-24-26-15-21(23(28-24)17-4-2-1-3-5-17)18-12-13-25-22(14-18)16-6-7-16/h1-5,12-16,19-20,29H,6-11H2,(H,26,27,28)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205279 (2,6-diphenyl-1-deazapurine | CHEMBL220535) Show SMILES c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50125912 (2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...) Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375504 (CHEMBL259704) Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50117137 (CHEMBL3613124) Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2cscn2)c1C#N Show InChI InChI=1S/C18H13N5OS2/c1-24-13-4-2-11(3-5-13)16-14(6-19)17(21)23-18(15(16)7-20)26-9-12-8-25-10-22-12/h2-5,8,10H,9H2,1H3,(H2,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay				Eur J Med Chem 101: 681-91 (2015) Article DOI: 10.1016/j.ejmech.2015.07.023 BindingDB Entry DOI: 10.7270/Q2FX7C8R
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210801 (CHEMBL3969553) Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210813 (CHEMBL3916315) Show SMILES Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50003646 (CHEMBL3235279) Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N Show InChI InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay				Eur J Med Chem 101: 681-91 (2015) Article DOI: 10.1016/j.ejmech.2015.07.023 BindingDB Entry DOI: 10.7270/Q2FX7C8R
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210801 (CHEMBL3969553) Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50238959 (2-isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidin...) Show SMILES CC(C)c1nc(-c2nccs2)c2sccc2n1 Show InChI InChI=1S/C12H11N3S2/c1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50262436 (2-Amino-4-thiophen-2-yl-6-furan-2-yl-nicotinonitri...) Show SMILES Nc1nc(cc(-c2cccs2)c1C#N)-c1ccco1 Show InChI InChI=1S/C14H9N3OS/c15-8-10-9(13-4-2-6-19-13)7-11(17-14(10)16)12-3-1-5-18-12/h1-7H,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50117143 (CHEMBL3613120) Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(O)cc2)c1C#N Show InChI InChI=1S/C23H14ClN5OS2/c24-15-5-1-14(2-6-15)22-28-16(11-31-22)12-32-23-19(10-26)20(18(9-25)21(27)29-23)13-3-7-17(30)8-4-13/h1-8,11,30H,12H2,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay				Eur J Med Chem 101: 681-91 (2015) Article DOI: 10.1016/j.ejmech.2015.07.023 BindingDB Entry DOI: 10.7270/Q2FX7C8R
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257556 (CHEMBL4101354) Show SMILES Cc1ccc(Oc2ccc(cc2Cl)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(C)n1 Show InChI InChI=1S/C24H20ClF3N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210799 (CHEMBL3948763) Show SMILES Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 Show InChI InChI=1S/C18H16N4/c19-18-21-11-15(17(22-18)13-4-2-1-3-5-13)14-8-9-20-16(10-14)12-6-7-12/h1-5,8-12H,6-7H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375500 (CHEMBL259607) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257551 (CHEMBL4077609) Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(54.3,-43.98,;54.3,-42.44,;55.64,-41.67,;55.65,-40.12,;54.31,-39.36,;52.98,-40.12,;52.97,-41.66,;54.32,-37.83,;55.65,-37.06,;56.98,-37.83,;58.32,-37.06,;58.32,-35.5,;56.98,-34.74,;55.65,-35.51,;54.32,-34.74,;59.64,-34.73,;60.98,-35.5,;62.31,-34.73,;62.31,-33.19,;63.45,-32.15,;64.95,-32.46,;65.44,-33.93,;65.13,-35.43,;66.59,-34.95,;62.81,-30.75,;61.29,-30.91,;60.97,-32.42,;59.63,-33.19,;58.3,-32.43,;58.29,-30.89,;56.97,-33.2,;56.95,-31.65,)| Show InChI InChI=1S/C23H23ClF3N3O2/c24-18-12-14(3-8-19(18)32-16-6-4-15(31)5-7-16)17-9-10-30-20(11-13-1-2-13)28-29-22(30)21(17)23(25,26)27/h3,8-10,12-13,15-16,31H,1-2,4-7,11H2/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257554 (CHEMBL4075258) Show SMILES Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)c(C)n1 Show InChI InChI=1S/C23H20ClFN4O/c1-13-3-7-19(14(2)26-13)30-20-8-6-16(12-18(20)25)17-9-10-29-21(11-15-4-5-15)27-28-23(29)22(17)24/h3,6-10,12,15H,4-5,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257525 (CHEMBL4091370) Show SMILES COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1 Show InChI InChI=1S/C24H21F4N5O/c1-34-21-7-4-15(13-30-21)12-29-19-6-5-16(11-18(19)25)17-8-9-33-20(10-14-2-3-14)31-32-23(33)22(17)24(26,27)28/h4-9,11,13-14,29H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50150075 (2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...) Show SMILES COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N Show InChI InChI=1S/C18H14N6OS/c1-25-12-4-2-3-11(7-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-5-6-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leiden Curated by ChEMBL					Assay Description Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX				J Med Chem 47: 3707-9 (2004) Article DOI: 10.1021/jm049947s BindingDB Entry DOI: 10.7270/Q2833SS3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50157657 (CHEMBL375631 | cyclopentanecarboxylic acid (2,6-di...) Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 6529-40 (2004) Article DOI: 10.1021/jm049448r BindingDB Entry DOI: 10.7270/Q2DN44J7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50157656 (CHEMBL223977 | LUF-5767 | N-(2,6-diphenylpyrimidin...) Show SMILES CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 6529-40 (2004) Article DOI: 10.1021/jm049448r BindingDB Entry DOI: 10.7270/Q2DN44J7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257606 (CHEMBL4073628) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CC2)c(Cl)c1 Show InChI InChI=1S/C20H18ClF3N4/c21-15-10-12(3-6-16(15)25-13-4-5-13)14-7-8-28-17(9-11-1-2-11)26-27-19(28)18(14)20(22,23)24/h3,6-8,10-11,13,25H,1-2,4-5,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257548 (CHEMBL4104081) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(25.74,-27.82,;25.74,-26.28,;27.08,-25.52,;27.09,-23.97,;25.76,-23.21,;24.42,-23.97,;24.41,-25.5,;25.76,-21.67,;27.09,-20.9,;28.43,-21.67,;29.76,-20.9,;29.76,-19.35,;28.42,-18.59,;27.09,-19.36,;25.76,-18.59,;31.08,-18.58,;32.42,-19.35,;33.75,-18.58,;33.75,-17.03,;34.89,-16,;36.4,-16.31,;36.88,-17.77,;36.57,-19.28,;38.03,-18.8,;34.26,-14.59,;32.73,-14.76,;32.41,-16.27,;31.08,-17.04,;29.74,-16.27,;29.74,-14.73,;28.41,-17.05,;28.4,-15.5,)| Show InChI InChI=1S/C23H24ClF3N4O/c24-18-12-14(3-8-19(18)28-15-4-6-16(32)7-5-15)17-9-10-31-20(11-13-1-2-13)29-30-22(31)21(17)23(25,26)27/h3,8-10,12-13,15-16,28,32H,1-2,4-7,11H2/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50117122 (CHEMBL3613127) Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(F)cc2)c1C#N Show InChI InChI=1S/C24H16FN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay				Eur J Med Chem 101: 681-91 (2015) Article DOI: 10.1016/j.ejmech.2015.07.023 BindingDB Entry DOI: 10.7270/Q2FX7C8R
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50150077 (2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...) Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leiden Curated by ChEMBL					Assay Description Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX				J Med Chem 47: 3707-9 (2004) Article DOI: 10.1021/jm049947s BindingDB Entry DOI: 10.7270/Q2833SS3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205284 (2,6-diphenyl-8-ethyl-1-deazapurine | CHEMBL222130) Show SMILES CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C20H17N3/c1-2-18-22-19-16(14-9-5-3-6-10-14)13-17(21-20(19)23-18)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205290 (2,6-dphenyl-8-propyl-1-deazapurine | CHEMBL376648) Show SMILES CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H19N3/c1-2-9-19-23-20-17(15-10-5-3-6-11-15)14-18(22-21(20)24-19)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair

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