Compile Data Set for Download or QSAR

Found 911 hits with Last Name = 'koo' and Initial = 'g'   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213098 ((R,R)-(-)-fenoterol | CHEMBL388570 | US10617654, C...) Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213098 ((R,R)-(-)-fenoterol | CHEMBL388570 | US10617654, C...) Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213099 ((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213099 ((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement.				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451102 (CHEMBL2113491) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement.				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451105 (CHEMBL2113488) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50348431 (CHEMBL1800934 | US9492405, 45) Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r| Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50348431 (CHEMBL1800934 | US9492405, 45) Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r| Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50348430 (CHEMBL1800963 | US9492405, 44) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r| Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50348430 (CHEMBL1800963 | US9492405, 44) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r| Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50370303 (CHEMBL605486) Show SMILES Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C17H18ClN9O5/c18-7-2-1-3-8(4-7)21-17(31)25-26-24-16-22-13(19)10-14(23-16)27(6-20-10)15-12(30)11(29)9(5-28)32-15/h1-4,6,9,11-12,15,28-30H,5H2,(H4,19,21,22,23,24,25,31)/t9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement.				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213120 ((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...) Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213120 ((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...) Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50088422 ((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495015 (CHEMBL3099659) Show SMILES CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C19H25NO4/c1-3-15(8-13-4-6-18(24-2)7-5-13)20-12-19(23)14-9-16(21)11-17(22)10-14/h4-7,9-11,15,19-23H,3,8,12H2,1-2H3/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451106 (CHEMBL2113495) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C11H14N6O7/c1-23-15-8-5-9(14-11(13-8)17(21)22)16(3-12-5)10-7(20)6(19)4(2-18)24-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,14,15)/t4-,6-,7-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495015 (CHEMBL3099659) Show SMILES CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C19H25NO4/c1-3-15(8-13-4-6-18(24-2)7-5-13)20-12-19(23)14-9-16(21)11-17(22)10-14/h4-7,9-11,15,19-23H,3,8,12H2,1-2H3/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50348426 (CHEMBL1800936 | US9492405, 48) Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50348426 (CHEMBL1800936 | US9492405, 48) Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451103 (CHEMBL2113490) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451107 (CHEMBL2113494) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C16H21N5O6/c22-6-10-13(23)14(24)16(27-10)20-7-17-12-9(18-8-3-1-2-4-8)5-11(21(25)26)19-15(12)20/h5,7-8,10,13-14,16,22-24H,1-4,6H2,(H,18,19)/t10-,13-,14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50370303 (CHEMBL605486) Show SMILES Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C17H18ClN9O5/c18-7-2-1-3-8(4-7)21-17(31)25-26-24-16-22-13(19)10-14(23-16)27(6-20-10)15-12(30)11(29)9(5-28)32-15/h1-4,6,9,11-12,15,28-30H,5H2,(H4,19,21,22,23,24,25,31)/t9-,11-,12-,15?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity for human Adenosine A3 receptor using [125 I]-IABMECA				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Tested for binding affinity towards human adenosine A2A receptor using [3H]ZM-241385 as radioligand				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50088422 ((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213097 ((S,R)-(+)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...) Show SMILES COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213097 ((S,R)-(+)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...) Show SMILES COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50366652 (CHEMBL610646) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12 |r| Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(20)5-6-17-15(12)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495020 (CHEMBL3099657) Show SMILES COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 |r| Show InChI InChI=1S/C17H21NO4/c1-22-16-4-2-12(3-5-16)6-7-18-11-17(21)13-8-14(19)10-15(20)9-13/h2-5,8-10,17-21H,6-7,11H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495020 (CHEMBL3099657) Show SMILES COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 |r| Show InChI InChI=1S/C17H21NO4/c1-22-16-4-2-12(3-5-16)6-7-18-11-17(21)13-8-14(19)10-15(20)9-13/h2-5,8-10,17-21H,6-7,11H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451102 (CHEMBL2113491) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451105 (CHEMBL2113488) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451104 (CHEMBL2113487) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H18N6O6/c24-7-10-12(25)13(26)16(29-10)22-8-19-11-14(18-6-9-4-2-1-3-5-9)20-17(23(27)28)21-15(11)22/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,18,20,21)/t10-,12-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213106 ((R,S)-(-)-fenoterol | CHEMBL229476 | US10617654, C...) Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213106 ((R,S)-(-)-fenoterol | CHEMBL229476 | US10617654, C...) Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451108 (CHEMBL2113493) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50451102 (CHEMBL2113491) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451101 (CHEMBL2113502) Show SMILES Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C11H13N5O6/c12-4-1-6(16(20)21)14-10-7(4)13-3-15(10)11-9(19)8(18)5(2-17)22-11/h1,3,5,8-9,11,17-19H,2H2,(H2,12,14)/t5-,8-,9-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451103 (CHEMBL2113490) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495017 (CHEMBL3099663) Show SMILES CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C20H27NO4/c1-3-4-16(9-14-5-7-19(25-2)8-6-14)21-13-20(24)15-10-17(22)12-18(23)11-15/h5-8,10-12,16,20-24H,3-4,9,13H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495017 (CHEMBL3099663) Show SMILES CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C20H27NO4/c1-3-4-16(9-14-5-7-19(25-2)8-6-14)21-13-20(24)15-10-17(22)12-18(23)11-15/h5-8,10-12,16,20-24H,3-4,9,13H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair

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