Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50012466   

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))	BDBM50119168 ((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119153 ((2R,3R,4S,5R)-2-[6-Amino-2-((E)-hex-1-enyl)-purin-...) Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5+/t9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119134 ((2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-...) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |w:5.5| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for Adenosine A2A receptor				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119165 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119142 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119152 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119131 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1 Show InChI InChI=1S/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119134 ((2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-...) Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |w:5.5| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119165 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119167 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119149 ((2R,3R,4S,5R)-2-[6-Amino-2-(4-p-tolyl-pyrazol-1-yl...) Show SMILES Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119144 ((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119161 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119141 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119164 (({1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydr...) Show SMILES CCOC(=O)CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H22N8O7/c1-2-32-10(28)4-20-16(31)8-3-22-26(5-8)18-23-14(19)11-15(24-18)25(7-21-11)17-13(30)12(29)9(6-27)33-17/h3,5,7,9,12-13,17,27,29-30H,2,4,6H2,1H3,(H,20,31)(H2,19,23,24)/t9-,12-,13-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119132 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119138 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES NC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119131 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1 Show InChI InChI=1S/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119152 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119166 ((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-chloro-phenyl)-py...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN7O4/c20-11-3-1-9(2-4-11)10-5-23-27(6-10)19-24-16(21)13-17(25-19)26(8-22-13)18-15(30)14(29)12(7-28)31-18/h1-6,8,12,14-15,18,28-30H,7H2,(H2,21,24,25)/t12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119167 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119151 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-pent-4-enyl-1H-pyraz...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC=C)c1 Show InChI InChI=1S/C18H23N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h2,6-7,9,11,13-14,18,26-28H,1,3-5,8H2,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119149 ((2R,3R,4S,5R)-2-[6-Amino-2-(4-p-tolyl-pyrazol-1-yl...) Show SMILES Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119144 ((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119161 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119141 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119164 (({1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydr...) Show SMILES CCOC(=O)CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H22N8O7/c1-2-32-10(28)4-20-16(31)8-3-22-26(5-8)18-23-14(19)11-15(24-18)25(7-21-11)17-13(30)12(29)9(6-27)33-17/h3,5,7,9,12-13,17,27,29-30H,2,4,6H2,1H3,(H,20,31)(H2,19,23,24)/t9-,12-,13-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119169 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1 Show InChI InChI=1S/C21H29N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14,16-17,21,29-31H,1-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119166 ((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-chloro-phenyl)-py...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN7O4/c20-11-3-1-9(2-4-11)10-5-23-27(6-10)19-24-16(21)13-17(25-19)26(8-22-13)18-15(30)14(29)12(7-28)31-18/h1-6,8,12,14-15,18,28-30H,7H2,(H2,21,24,25)/t12-,14-,15-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119132 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119133 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-phenyl-propyl)-1H...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCc2ccccc2)c1 Show InChI InChI=1S/C22H25N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,15,17-18,22,30-32H,4,7-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119142 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119138 (1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...) Show SMILES NC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119148 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119148 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119133 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-phenyl-propyl)-1H...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCc2ccccc2)c1 Show InChI InChI=1S/C22H25N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,15,17-18,22,30-32H,4,7-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119151 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-pent-4-enyl-1H-pyraz...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC=C)c1 Show InChI InChI=1S/C18H23N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h2,6-7,9,11,13-14,18,26-28H,1,3-5,8H2,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119150 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-pentyl-1H-pyrazol-4-...) Show SMILES CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H25N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h6-7,9,11,13-14,18,26-28H,2-5,8H2,1H3,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119157 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-phenethyl-1H-pyrazol...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCc2ccccc2)c1 Show InChI InChI=1S/C21H23N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,16-17,21,29-31H,6-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119160 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(4-tert-butyl-benzyl...) Show SMILES CC(C)(C)c1ccc(Cn2cc(cn2)-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)15-6-4-13(5-7-15)9-30-10-14(8-27-30)21-28-20(25)17-22(29-21)31(12-26-17)23-19(34)18(33)16(11-32)35-23/h4-8,10,12,16,18-19,23,32-34H,9,11H2,1-3H3,(H2,25,28,29)/t16-,18-,19-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119150 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-pentyl-1H-pyrazol-4-...) Show SMILES CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H25N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h6-7,9,11,13-14,18,26-28H,2-5,8H2,1H3,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119156 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-cyclohexyl-propyl...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC2CCCCC2)c1 Show InChI InChI=1S/C22H31N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h9-10,12-13,15,17-18,22,30-32H,1-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119169 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1 Show InChI InChI=1S/C21H29N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14,16-17,21,29-31H,1-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119143 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-isopropyl-1H-pyrazol...) Show SMILES CC(C)n1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N7O4/c1-7(2)23-4-8(3-19-23)14-20-13(17)10-15(21-14)22(6-18-10)16-12(26)11(25)9(5-24)27-16/h3-4,6-7,9,11-12,16,24-26H,5H2,1-2H3,(H2,17,20,21)/t9-,11-,12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119160 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(4-tert-butyl-benzyl...) Show SMILES CC(C)(C)c1ccc(Cn2cc(cn2)-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)15-6-4-13(5-7-15)9-30-10-14(8-27-30)21-28-20(25)17-22(29-21)31(12-26-17)23-19(34)18(33)16(11-32)35-23/h4-8,10,12,16,18-19,23,32-34H,9,11H2,1-3H3,(H2,25,28,29)/t16-,18-,19-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119157 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-phenethyl-1H-pyrazol...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCc2ccccc2)c1 Show InChI InChI=1S/C21H23N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,16-17,21,29-31H,6-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119136 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-decyl-1H-pyrazol-4-y...) Show SMILES CCCCCCCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H35N7O4/c1-2-3-4-5-6-7-8-9-10-29-12-15(11-26-29)21-27-20(24)17-22(28-21)30(14-25-17)23-19(33)18(32)16(13-31)34-23/h11-12,14,16,18-19,23,31-33H,2-10,13H2,1H3,(H2,24,27,28)/t16-,18-,19-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119156 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-cyclohexyl-propyl...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC2CCCCC2)c1 Show InChI InChI=1S/C22H31N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h9-10,12-13,15,17-18,22,30-32H,1-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119143 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-isopropyl-1H-pyrazol...) Show SMILES CC(C)n1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N7O4/c1-7(2)23-4-8(3-19-23)14-20-13(17)10-15(21-14)22(6-18-10)16-12(26)11(25)9(5-24)27-16/h3-4,6-7,9,11-12,16,24-26H,5H2,1-2H3,(H2,17,20,21)/t9-,11-,12-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119155 (2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hyd...) Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C17H22N8O5/c1-23(2)10(27)5-24-4-8(3-20-24)15-21-14(18)11-16(22-15)25(7-19-11)17-13(29)12(28)9(6-26)30-17/h3-4,7,9,12-13,17,26,28-29H,5-6H2,1-2H3,(H2,18,21,22)/t9-,12-,13-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair

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