Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 50042401   

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 (Rattus norvegicus (rat))	BDBM50047166 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...) Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061950 (8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...) Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C19H16N4O4/c1-4-9-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)8-6-12-5-7-13-14(10-12)27-11-26-13/h1,5-8,10H,9,11H2,2-3H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425479 (CHEMBL2313277) Show SMILES CC(=O)c1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1 Show InChI InChI=1S/C19H19N3O3/c1-12(23)14-8-5-13(6-9-14)7-10-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425477 ((E)-8-(4-Chlorostyryl)caffeine (4a) | CHEMBL231328...) Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50041581 (1,3,5-Trimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo...) Show SMILES Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17N3O2/c1-18-13(10-9-12-7-5-4-6-8-12)11-14-15(18)16(21)20(3)17(22)19(14)2/h4-11H,1-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50037429 (8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of MAOB in human liver mitochondria				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425482 (CHEMBL2312987) Show SMILES COc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1 Show InChI InChI=1S/C18H19N3O3/c1-19-13(8-5-12-6-9-14(24-4)10-7-12)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425484 (CHEMBL2313297) Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50425470 (CHEMBL2312973) Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C#Cc1ccccc1 Show InChI InChI=1S/C18H14N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-9H,12H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425481 (CHEMBL2312988) Show SMILES CCCOc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1 Show InChI InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11-16)6-9-15-13-17-18(21(15)2)19(24)23(4)20(25)22(17)3/h6-11,13H,5,12H2,1-4H3/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	307	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425487 (CHEMBL2313294) Show SMILES COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1 Show InChI InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	391	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425485 (CHEMBL2313296) Show SMILES Cn1c(\C=C\c2ccc(F)cc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16FN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425509 (CHEMBL2313293) Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16ClN3O2/c1-19-13(8-7-11-5-4-6-12(18)9-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425507 (CHEMBL2312991) Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H17N3O4/c1-19-12(6-4-11-5-7-14-15(8-11)25-10-24-14)9-13-16(19)17(22)21(3)18(23)20(13)2/h4-9H,10H2,1-3H3/b6-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	467	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425483 (CHEMBL2313298) Show SMILES Cn1c(\C=C\c2ccc(cc2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(9-6-11-4-7-12(8-5-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	531	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425506 (CHEMBL2313274) Show SMILES Cn1c(\C=C\c2cccc(N)n2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H17N5O2/c1-19-11(8-7-10-5-4-6-13(17)18-10)9-12-14(19)15(22)21(3)16(23)20(12)2/h4-9H,1-3H3,(H2,17,18)/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	887	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425478 (CHEMBL2313279) Show SMILES Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H16N4O2/c1-20-14(9-8-12-4-6-13(11-19)7-5-12)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425503 (CHEMBL2313278) Show SMILES Cn1c(\C=C\c2ccc(cc2)S(C)(=O)=O)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H19N3O4S/c1-19-13(8-5-12-6-9-14(10-7-12)26(4,24)25)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425488 (CHEMBL2313292) Show SMILES Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C20H19N3O3/c1-21-16-10-9-14(26-12-13-7-5-4-6-8-13)11-15(16)17-18(21)19(24)23(3)20(25)22(17)2/h4-11H,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425489 (CHEMBL2313291) Show SMILES Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H16ClN3O2/c1-21-15-10-12(11-5-4-6-13(20)9-11)7-8-14(15)16-17(21)18(24)23(3)19(25)22(16)2/h4-10H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425494 (CHEMBL2312982) Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1nc2ccc(Cl)cc2o1 Show InChI InChI=1S/C16H13ClN4O3/c1-19-11(14-18-9-5-4-8(17)6-12(9)24-14)7-10-13(19)15(22)21(3)16(23)20(10)2/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425501 (CHEMBL2313281) Show SMILES Cn1c(\C=C\c2cccc(O)c2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17N3O3/c1-18-12(8-7-11-5-4-6-13(21)9-11)10-14-15(18)16(22)20(3)17(23)19(14)2/h4-10,21H,1-3H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425511 (CHEMBL2313289) Show SMILES CN(C(=O)\C=C\c1ccccc1)c1cn(C)c(=O)n(C)c1=O Show InChI InChI=1S/C16H17N3O3/c1-17-11-13(15(21)19(3)16(17)22)18(2)14(20)10-9-12-7-5-4-6-8-12/h4-11H,1-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425499 (CHEMBL2313283) Show SMILES Cn1c(\C=C\c2ccccc2O)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17N3O3/c1-18-12(9-8-11-6-4-5-7-14(11)21)10-13-15(18)16(22)20(3)17(23)19(13)2/h4-10,21H,1-3H3/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425502 (CHEMBL2313280) Show SMILES Cn1c(\C=C\c2ccncc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H16N4O2/c1-18-12(5-4-11-6-8-17-9-7-11)10-13-14(18)15(21)20(3)16(22)19(13)2/h4-10H,1-3H3/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425504 (CHEMBL2313276) Show SMILES Cn1c(\C=C\c2cccc(c2)C#N)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H16N4O2/c1-20-14(8-7-12-5-4-6-13(9-12)11-19)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425505 (CHEMBL2313275) Show SMILES CC(=O)c1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1 Show InChI InChI=1S/C19H19N3O3/c1-12(23)14-7-5-6-13(10-14)8-9-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425508 (CHEMBL2312990) Show SMILES Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H15Cl2N3O2/c1-20-11(6-4-10-5-7-12(18)13(19)8-10)9-14-15(20)16(23)22(3)17(24)21(14)2/h4-9H,1-3H3/b6-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425480 (CHEMBL2312989) Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16BrN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425486 (CHEMBL2313295) Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(8-7-11-5-4-6-12(9-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425510 (CHEMBL2313290) Show SMILES Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1 Show InChI InChI=1S/C19H17N3O2/c1-20-15-11-13(12-7-5-4-6-8-12)9-10-14(15)16-17(20)18(23)22(3)19(24)21(16)2/h4-11H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425512 (CHEMBL2313288) Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)ccc12 Show InChI InChI=1S/C16H15N3O/c1-18-13-9-11-15(20)19(2)16(13)17-14(18)10-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425500 (CHEMBL2313282) Show SMILES Cn1c(\C=C\c2ccc(O)cc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17N3O3/c1-18-12(7-4-11-5-8-13(21)9-6-11)10-14-15(18)16(22)20(3)17(23)19(14)2/h4-10,21H,1-3H3/b7-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425476 (CHEMBL2313285) Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(8-7-11-5-4-6-12(18)9-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-6,9-10H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425475 (CHEMBL2313286) Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-5,7-8,10H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425498 (CHEMBL2312974) Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#CCc1ccccc1 Show InChI InChI=1S/C18H17N3O2/c1-19-14(11-7-10-13-8-5-4-6-9-13)12-15-16(19)17(22)21(3)18(23)20(15)2/h4-6,8-9,12H,10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425474 (CHEMBL2312975) Show SMILES Cn1c(OCc2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H16ClN3O3/c1-18-12-8-13(23-9-10-4-6-11(17)7-5-10)19(2)14(12)15(21)20(3)16(18)22/h4-8H,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425473 (CHEMBL2312976) Show SMILES Cn1c(OCc2ccc(Cl)c(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H15ClF3N3O3/c1-22-12-7-13(23(2)14(12)15(25)24(3)16(22)26)27-8-9-4-5-11(18)10(6-9)17(19,20)21/h4-7H,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425472 (CHEMBL2312977) Show SMILES Cn1c(OCc2ccc3ccccc3c2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C20H19N3O3/c1-21-16-11-17(22(2)18(16)19(24)23(3)20(21)25)26-12-13-8-9-14-6-4-5-7-15(14)10-13/h4-11H,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425497 (CHEMBL2312978) Show SMILES Cn1c(Oc2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H14ClN3O3/c1-17-11-8-12(22-10-6-4-5-9(16)7-10)18(2)13(11)14(20)19(3)15(17)21/h4-8H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425496 (CHEMBL2312979) Show SMILES Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C21H19N3O3/c1-22-17-13-18(23(2)19(17)20(25)24(3)21(22)26)27-16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-13H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425495 (CHEMBL2312980) Show SMILES Cn1c(NC(=O)c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O3/c1-19-11-8-12(18-14(22)9-4-6-10(17)7-5-9)20(2)13(11)15(23)21(3)16(19)24/h4-8H,1-3H3,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425471 (CHEMBL2312981) Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-n1cc(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN6O2/c1-21-13-8-14(22(2)15(13)16(25)23(3)17(21)26)24-9-12(19-20-24)10-4-6-11(18)7-5-10/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425493 (CHEMBL2312983) Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H18ClN3O2/c1-4-22-14(10-7-12-5-8-13(19)9-6-12)11-15-16(22)17(23)21(3)18(24)20(15)2/h5-11H,4H2,1-3H3/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425492 (CHEMBL2312984) Show SMILES CCn1c2cc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C19H20ClN3O2/c1-4-22-16-12-15(11-8-13-6-9-14(20)10-7-13)21(3)17(16)18(24)23(5-2)19(22)25/h6-12H,4-5H2,1-3H3/b11-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425513 (CHEMBL2313287) Show SMILES Cn1c(\C=C\c2ccccc2)nc2ccn(C)c(=O)c12 Show InChI InChI=1S/C16H15N3O/c1-18-11-10-13-15(16(18)20)19(2)14(17-13)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50425490 (CHEMBL2312986) Show SMILES CCn1c2cc(OCc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H20ClN3O3/c1-4-21-14-10-15(25-11-12-6-8-13(19)9-7-12)20(3)16(14)17(23)22(5-2)18(21)24/h6-10H,4-5,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair

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