Compile Data Set for Download or QSAR

Found 279 hits with Last Name = 'margiotta' and Initial = 'e'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50399572 (CHEMBL2180931) Show SMILES C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r| Show InChI InChI=1S/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assay				Citation and Details Article DOI: 10.1039/d0md00380h BindingDB Entry DOI: 10.7270/Q2Z03CS9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50548102 (CHEMBL4740116) Show SMILES CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assay				Citation and Details Article DOI: 10.1039/d0md00380h BindingDB Entry DOI: 10.7270/Q2Z03CS9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50548104 (CHEMBL4763391) Show SMILES CCOC(=O)C(CC(C)C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assay				Citation and Details Article DOI: 10.1039/d0md00380h BindingDB Entry DOI: 10.7270/Q2Z03CS9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50548103 (CHEMBL4758353) Show SMILES CCCCC(Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(=O)OCC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assay				Citation and Details Article DOI: 10.1039/d0md00380h BindingDB Entry DOI: 10.7270/Q2Z03CS9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470471 (CHEMBL4294479) Show SMILES CCc1ccc(COC(=O)c2cnc(NC)n3nc(nc23)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N5O3/c1-3-13-6-8-14(9-7-13)12-28-19(26)15-11-22-20(21-2)25-18(15)23-17(24-25)16-5-4-10-27-16/h4-11H,3,12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470462 (CHEMBL4295054) Show SMILES CNc1ncc(C(=O)OCc2ccccc2OC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O4/c1-20-19-21-10-13(17-22-16(23-24(17)19)15-8-5-9-27-15)18(25)28-11-12-6-3-4-7-14(12)26-2/h3-10H,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50548105 (CHEMBL4797620) Show SMILES CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(C)C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assay				Citation and Details Article DOI: 10.1039/d0md00380h BindingDB Entry DOI: 10.7270/Q2Z03CS9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470464 (CHEMBL4290021) Show SMILES CNc1ncc(C(=O)OC(c2ccccc2)c2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C24H19N5O3/c1-25-24-26-15-18(22-27-21(28-29(22)24)19-13-8-14-31-19)23(30)32-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559050 (CHEMBL4794804) Show SMILES OC(=O)C(F)(F)F.Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCN)cc1)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470487 (CHEMBL4293398) Show SMILES CNc1ncc(C(=O)OC(C)C)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C14H15N5O3/c1-8(2)22-13(20)9-7-16-14(15-3)19-12(9)17-11(18-19)10-5-4-6-21-10/h4-8H,1-3H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559057 (CHEMBL4786871) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCNC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470481 (CHEMBL4290842) Show SMILES CNc1ncc(C(=O)OC(C)c2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O3/c1-12(13-7-4-3-5-8-13)27-18(25)14-11-21-19(20-2)24-17(14)22-16(23-24)15-9-6-10-26-15/h3-12H,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470457 (CHEMBL4292571) Show SMILES CNc1ncc(C(=O)OCc2cccc(F)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14FN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-2-5-12(19)8-11)16-22-15(23-24(16)18)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559056 (CHEMBL4800356) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCNC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470469 (CHEMBL4282986) Show SMILES CNc1ncc(C(=O)NCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c1-19-18-21-11-13(17(25)20-10-12-6-3-2-4-7-12)16-22-15(23-24(16)18)14-8-5-9-26-14/h2-9,11H,10H2,1H3,(H,19,21)(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470484 (CHEMBL4278675) Show SMILES CNc1ncc(C(=O)OCc2ccc(C)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O3/c1-12-5-7-13(8-6-12)11-27-18(25)14-10-21-19(20-2)24-17(14)22-16(23-24)15-4-3-9-26-15/h3-10H,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559041 (CHEMBL4762320) Show SMILES Cn1cc2c(n1)nc(NC(=O)NCCCC#C)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559055 (CHEMBL4748745) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470466 (CHEMBL4285236) Show SMILES CNc1ncc(C(=O)OCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14ClN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-6-12(19)7-5-11)16-22-15(23-24(16)18)14-3-2-8-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470480 (CHEMBL4286354) Show SMILES CNc1ncc(C(=O)NCc2ccc(C)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H18N6O2/c1-12-5-7-13(8-6-12)10-21-18(26)14-11-22-19(20-2)25-17(14)23-16(24-25)15-4-3-9-27-15/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470461 (CHEMBL4294246) Show SMILES CNc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C24H20N6O2/c1-25-24-26-15-18(22-28-21(29-30(22)24)19-13-8-14-32-19)23(31)27-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,25,26)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470463 (CHEMBL4284127) Show SMILES CNc1ncc(C(=O)OCc2ccc(F)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14FN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-6-12(19)7-5-11)16-22-15(23-24(16)18)14-3-2-8-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470470 (CHEMBL4278397) Show SMILES CNc1ncc(C(=O)OCc2ccc(OC)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O4/c1-20-19-21-10-14(17-22-16(23-24(17)19)15-4-3-9-27-15)18(25)28-11-12-5-7-13(26-2)8-6-12/h3-10H,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559051 (CHEMBL4760582) Show SMILES OC(=O)C(F)(F)F.Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCN)cc1)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50470476 (CHEMBL4284249) Show SMILES CNc1ncc(C(=O)NC(C)(C)Cc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H22N6O2/c1-21(2,12-14-8-5-4-6-9-14)25-19(28)15-13-23-20(22-3)27-18(15)24-17(26-27)16-10-7-11-29-16/h4-11,13H,12H2,1-3H3,(H,22,23)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470483 (CHEMBL4288178) Show SMILES CNc1ncc(C(=O)OCc2ccccc2Cl)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14ClN5O3/c1-20-18-21-9-12(17(25)27-10-11-5-2-3-6-13(11)19)16-22-15(23-24(16)18)14-7-4-8-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470476 (CHEMBL4284249) Show SMILES CNc1ncc(C(=O)NC(C)(C)Cc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H22N6O2/c1-21(2,12-14-8-5-4-6-9-14)25-19(28)15-13-23-20(22-3)27-18(15)24-17(26-27)16-10-7-11-29-16/h4-11,13H,12H2,1-3H3,(H,22,23)(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470482 (CHEMBL4279340) Show SMILES CNc1ncc(C(=O)OCc2cccc(Cl)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14ClN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-2-5-12(19)8-11)16-22-15(23-24(16)18)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470456 (CHEMBL4287636) Show SMILES CNc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H18N6O2/c1-20-19-22-12-14(18(26)21-10-9-13-6-3-2-4-7-13)17-23-16(24-25(17)19)15-8-5-11-27-15/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470486 (CHEMBL4285563) Show SMILES CNc1ncc(C(=O)OCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N5O3/c1-19-18-20-10-13(17(24)26-11-12-6-3-2-4-7-12)16-21-15(22-23(16)18)14-8-5-9-25-14/h2-10H,11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470460 (CHEMBL4279509) Show SMILES CNc1ncc(C(=O)NCc2ccc(F)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15FN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559038 (CHEMBL4745279) Show SMILES Cn1cc2c(n1)nc(NC(=O)NCCCCC#C)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470474 (CHEMBL4278340) Show SMILES CNc1ncc(C(=O)OCc2cccc(OC)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O4/c1-20-19-21-10-14(17-22-16(23-24(17)19)15-7-4-8-27-15)18(25)28-11-12-5-3-6-13(9-12)26-2/h3-10H,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50548095 (CHEMBL4794145) Show SMILES CCOC(=O)CC[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)C(=O)OCC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assay				Citation and Details Article DOI: 10.1039/d0md00380h BindingDB Entry DOI: 10.7270/Q2Z03CS9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559052 (CHEMBL4763432) Show SMILES OC(=O)C(F)(F)F.Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCN)cc1)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559048 (CHEMBL4749227) Show SMILES OC(=O)C(F)(F)F.Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCOCCOCCOCCCN)cc1)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470478 (CHEMBL4287429) Show SMILES CNc1ncc(C(=O)NCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15ClN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470485 (CHEMBL4286593) Show SMILES CNc1ncc(C(=O)OCc2cccc(C)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O3/c1-12-5-3-6-13(9-12)11-27-18(25)14-10-21-19(20-2)24-17(14)22-16(23-24)15-7-4-8-26-15/h3-10H,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50470481 (CHEMBL4290842) Show SMILES CNc1ncc(C(=O)OC(C)c2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O3/c1-12(13-7-4-3-5-8-13)27-18(25)14-11-21-19(20-2)24-17(14)22-16(23-24)15-9-6-10-26-15/h3-12H,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559042 (CHEMBL4749927) Show SMILES Cn1cc2c(n1)nc(NC(=O)NCCC#C)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50559040 (CHEMBL4754659) Show SMILES Cn1cc2c(n1)nc(NC(=O)NCCCCCC#C)n1nc(nc21)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111886 BindingDB Entry DOI: 10.7270/Q2BK1H22
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50470462 (CHEMBL4295054) Show SMILES CNc1ncc(C(=O)OCc2ccccc2OC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O4/c1-20-19-21-10-13(17-22-16(23-24(17)19)15-8-5-9-27-15)18(25)28-11-12-6-3-4-7-14(12)26-2/h3-10H,11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470479 (CHEMBL4283826) Show SMILES CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H18N6O3/c1-20-19-22-11-14(17-23-16(24-25(17)19)15-4-3-9-28-15)18(26)21-10-12-5-7-13(27-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470495 (CHEMBL4283359) Show SMILES CNc1ncc(C(=O)OCc2ccccc2Br)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14BrN5O3/c1-20-18-21-9-12(17(25)27-10-11-5-2-3-6-13(11)19)16-22-15(23-24(16)18)14-7-4-8-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50470474 (CHEMBL4278340) Show SMILES CNc1ncc(C(=O)OCc2cccc(OC)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N5O4/c1-20-19-21-10-14(17-22-16(23-24(17)19)15-7-4-8-27-15)18(25)28-11-12-5-3-6-13(9-12)26-2/h3-10H,11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470497 (CHEMBL4292012) Show SMILES CNc1ncc(C(=O)NCc2ccc(cc2)C(F)(F)F)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H15F3N6O2/c1-23-18-25-10-13(16-26-15(27-28(16)18)14-3-2-8-30-14)17(29)24-9-11-4-6-12(7-5-11)19(20,21)22/h2-8,10H,9H2,1H3,(H,23,25)(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470491 (CHEMBL4280829) Show SMILES CNc1ncc(C(=O)NNc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H15N7O2/c1-18-17-19-10-12(16(25)22-21-11-6-3-2-4-7-11)15-20-14(23-24(15)17)13-8-5-9-26-13/h2-10,21H,1H3,(H,18,19)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470459 (CHEMBL4292148) Show SMILES CNc1ncc(C(=O)NCCOc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H18N6O3/c1-20-19-22-12-14(17-23-16(24-25(17)19)15-8-5-10-28-15)18(26)21-9-11-27-13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3,(H,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 279 total )  |  Next  |  Last  >>

Jump to: