Compile Data Set for Download or QSAR

Found 160 hits Enz. Inhib. hit(s) with all data for entry = 7124   

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 (Homo sapiens (Human))	BDBM175369 (8-[4-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...) Show SMILES CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)12-11-22-16(28)13-31-15-9-7-14(8-10-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-10H,5-6,11-13H2,1-4H3,(H,22,28)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175395 (1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175398 (1,3-Dimethyl-8-[4-methoxy-3-{2-(piperidin-1-yl)-2-...) Show SMILES COc1ccc(cc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(30-3)15(11-13)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175399 (1,3-Dimethyl-8-[{3-(2-(hexamethyleneimin-1-yl)-2-o...) Show SMILES COc1ccc(cc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(31-3)16(12-14)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175368 (1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175370 (1,3-Dimethyl-8-[4-{2-(pyrrolidin-1-yl)-2-oxoethoxy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(25)24-9-3-4-10-24/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175396 (8-[{3-(2-(Diethylaminoethylamino)-2-oxoethoxy)-4-m...) Show SMILES CCN(CC)CCNC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C22H30N6O5/c1-6-28(7-2)11-10-23-17(29)13-33-16-12-14(8-9-15(16)32-5)19-24-18-20(25-19)26(3)22(31)27(4)21(18)30/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,23,29)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175376 (1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20| Show InChI InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175377 (1,3-Dimethyl-8-[3-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)9-8-20-14(26)11-29-13-7-5-6-12(10-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-7,10H,8-9,11H2,1-4H3,(H,20,26)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175364 (1,3-Dimethyl-8-[4-(2-methoxy-2-oxoethoxy)-phenyl]x...) Show SMILES COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-4-6-10(7-5-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175371 (1,3-Dimethyl-8-[4-{2-(piperidin-1-yl)-2-oxoethoxy}...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-6-8-14(9-7-13)29-12-15(26)25-10-4-3-5-11-25/h6-9H,3-5,10-12H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175378 (8-[3-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...) Show SMILES CCN(CC)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)11-10-22-16(28)13-31-15-9-7-8-14(12-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,22,28)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175374 (1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-ox...) Show SMILES CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C |t:19| Show InChI InChI=1S/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175380 (1,3-Dimethyl-8-[3-{2-(piperidin-1-yl)]-2-oxoethoxy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCC2)c1 Show InChI InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-7-6-8-14(11-13)29-12-15(26)25-9-4-3-5-10-25/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175368 (1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175381 (1,3-Dimethyl-8-[3-{2-(hexamethyleneimin-1-yl)-2-ox...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-10-15(22)16(27)12-30-14-9-7-8-13(11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h7-9,11,22H,4-6,10,12H2,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175379 (1,3-Dimethyl-8-[3-{2-(pyrrolidin-1-yl)-2-oxoethoxy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCC2)c1 Show InChI InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-6-5-7-13(10-12)28-11-14(25)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175397 (1,3-Dimethyl-8-[4-methoxy-3-{2-(pyrrolidin-1-yl)-2...) Show SMILES COc1ccc(cc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H23N5O5/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-6-7-13(29-3)14(10-12)30-11-15(26)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175372 (1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-ox...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175373 (1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3| Show InChI InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175369 (8-[4-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...) Show SMILES CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)12-11-22-16(28)13-31-15-9-7-14(8-10-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-10H,5-6,11-13H2,1-4H3,(H,22,28)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	298	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175364 (1,3-Dimethyl-8-[4-(2-methoxy-2-oxoethoxy)-phenyl]x...) Show SMILES COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-4-6-10(7-5-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	319	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175365 (1,3-Dimethyl-8-[3-(2-methoxy-2-oxoethoxy)-phenyl]x...) Show SMILES COC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-5-4-6-10(7-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	375	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175371 (1,3-Dimethyl-8-[4-{2-(piperidin-1-yl)-2-oxoethoxy}...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-6-8-14(9-7-13)29-12-15(26)25-10-4-3-5-11-25/h6-9H,3-5,10-12H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	401	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175371 (1,3-Dimethyl-8-[4-{2-(piperidin-1-yl)-2-oxoethoxy}...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-6-8-14(9-7-13)29-12-15(26)25-10-4-3-5-11-25/h6-9H,3-5,10-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175372 (1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-ox...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	443	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175400 (1,3-Dimethyl-8-[4-methoxy-3-{(2-(morpholin-1-yl)-2...) Show SMILES COc1ccc(cc1OCC(=O)N1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H23N5O6/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-4-5-13(29-3)14(10-12)31-11-15(26)25-6-8-30-9-7-25/h4-5,10H,6-9,11H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	466	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175374 (1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-ox...) Show SMILES CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C |t:19| Show InChI InChI=1S/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175384 (1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1 Show InChI InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175376 (1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20| Show InChI InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	516	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175383 (1,3-Dimethyl-8-[3-{2-(1-methylpiperazin-4-yl)-2-ox...) Show SMILES CN1CCN(CC1)C(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H24N6O4/c1-23-7-9-26(10-8-23)15(27)12-30-14-6-4-5-13(11-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-6,11H,7-10,12H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	561	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175372 (1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-ox...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	609	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175382 (1,3-Dimethyl-8-[3-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCOCC2)c1 Show InChI InChI=1S/C19H21N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-4-3-5-13(10-12)29-11-14(25)24-6-8-28-9-7-24/h3-5,10H,6-9,11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	679	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175377 (1,3-Dimethyl-8-[3-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)9-8-20-14(26)11-29-13-7-5-6-12(10-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-7,10H,8-9,11H2,1-4H3,(H,20,26)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	683	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175401 (1,3-Dimethyl-8-[4-methoxy-3-{2-(1-methylpiperazin-...) Show SMILES COc1ccc(cc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H26N6O5/c1-24-7-9-27(10-8-24)16(28)12-32-15-11-13(5-6-14(15)31-4)18-22-17-19(23-18)25(2)21(30)26(3)20(17)29/h5-6,11H,7-10,12H2,1-4H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	685	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175387 (8-[{4-(2-(Diethylaminoethylamino)-2-oxoethoxy)-3-m...) Show SMILES CCN(CC)CCNC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C22H30N6O5/c1-6-28(7-2)11-10-23-17(29)13-33-15-9-8-14(12-16(15)32-5)19-24-18-20(25-19)26(3)22(31)27(4)21(18)30/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,23,29)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175367 (1,3-Dimethyl-8-[{3-(2-methoxy-2-oxoethoxy)-4-metho...) Show SMILES COC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(25-3)11(7-9)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	717	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175403 (1,3-Dimethyl-8-[{3-(2-(homoveratrylamino)-2-oxoeth...) Show SMILES COc1ccc(CCNC(=O)COc2cc(ccc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC Show InChI InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(36-4)20(13-16)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)37-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	772	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175370 (1,3-Dimethyl-8-[4-{2-(pyrrolidin-1-yl)-2-oxoethoxy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(25)24-9-3-4-10-24/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	796	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175399 (1,3-Dimethyl-8-[{3-(2-(hexamethyleneimin-1-yl)-2-o...) Show SMILES COc1ccc(cc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(31-3)16(12-14)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	797	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175386 (1,3-Dimethyl-8-[{4-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1cc(ccc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-13-7-6-12(10-14(13)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	821	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175394 (1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoeth...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC Show InChI InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(20(13-16)37-5)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175395 (1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	847	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175368 (1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	903	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175374 (1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-ox...) Show SMILES CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C |t:19| Show InChI InChI=1S/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	954	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175369 (8-[4-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...) Show SMILES CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)12-11-22-16(28)13-31-15-9-7-14(8-10-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-10H,5-6,11-13H2,1-4H3,(H,22,28)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	968	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175364 (1,3-Dimethyl-8-[4-(2-methoxy-2-oxoethoxy)-phenyl]x...) Show SMILES COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-4-6-10(7-5-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM175402 (1,3-Dimethyl-8-[{3-(2-(imidazol-1-yl)-2-oxoethoxy)...) Show SMILES COc1ccc(cc1OCC(=O)N1CCN=C1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C19H20N6O5/c1-23-17-15(18(27)24(2)19(23)28)21-16(22-17)11-4-5-12(29-3)13(8-11)30-9-14(26)25-7-6-20-10-25/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175378 (8-[3-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...) Show SMILES CCN(CC)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)11-10-22-16(28)13-31-15-9-7-8-14(12-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,22,28)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175373 (1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3| Show InChI InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair

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