Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P29274   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182282 (CHEMBL3818905) Show SMILES [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C16H20ClN7O2.C2HF3O2/c1-2-26-10-5-3-9(4-6-10)7-8-21-14-12(17)22-11(13(18)23-14)15(25)24-16(19)20;3-2(4,5)1(6)7/h3-6H,2,7-8H2,1H3,(H3,18,21,23)(H4,19,20,24,25);(H,6,7)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182281 (CHEMBL3818205) Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1nc(Cl)c(-[#7]-[#6]-[#6]-c2ccc3-[#8]-[#6]-[#8]-c3c2)nc1-[#7] Show InChI InChI=1S/C15H16ClN7O3.ClH/c16-11-13(22-12(17)10(21-11)14(24)23-15(18)19)20-4-3-7-1-2-8-9(5-7)26-6-25-8;/h1-2,5H,3-4,6H2,(H3,17,20,22)(H4,18,19,23,24);1H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182283 (CHEMBL3819313) Show SMILES Cl.[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-8(3-5-9)6-7-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-5H,6-7H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182284 (CHEMBL3818888) Show SMILES Cl.[#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])c1 Show InChI InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-3-8(7-9)5-6-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-4,7H,5-6H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM81818 (CAS_1794 | CHEMBL1909810 | HMA | NSC_1794) Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1 Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	656	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of adenosine induced relaxation against guinea-pig aorta (Adenosine A2 receptor).				Bioorg Med Chem Lett 6: 2059-2062 (1996) Article DOI: 10.1016/0960-894X(96)00368-X BindingDB Entry DOI: 10.7270/Q25Q4W31
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50287703 ((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of adenosine induced relaxation against guinea-pig aorta (Adenosine A2 receptor).				Bioorg Med Chem Lett 6: 2059-2062 (1996) Article DOI: 10.1016/0960-894X(96)00368-X BindingDB Entry DOI: 10.7270/Q25Q4W31
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50368346 (CHEMBL608008) Show SMILES CCCCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C20H28N6O4/c1-3-5-6-7-8-9-10-12-24-17(21)13-18(25-12)26(11-23-13)20-15(28)14(27)16(30-20)19(29)22-4-2/h11,14-16,20,27-28H,3-8H2,1-2H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Maximal NECA stimulation of adenylate cyclase via Adenosine A2 receptor in human platelet membranes				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of adenosine induced relaxation against guinea-pig aorta (Adenosine A2 receptor).				Bioorg Med Chem Lett 6: 2059-2062 (1996) Article DOI: 10.1016/0960-894X(96)00368-X BindingDB Entry DOI: 10.7270/Q25Q4W31
					More data for this Ligand-Target Pair