Found 18 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50003879
(CHEMBL1277130)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C22H22N6O5/c1-11(29)13-7-4-12(5-8-13)6-9-14-26-19(23-2)15-20(27-14)28(10-25-15)22-17(31)16(30)18(33-22)21(32)24-3/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,24,32)(H,23,26,27)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299697
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299703
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299701
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205729
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205710
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205722
((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205714
(2-[(4-acetylphenyl)ethynyl]-N6-methoxy-5'-N-methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O Show InChI InChI=1S/C22H22N6O6/c1-11(29)13-7-4-12(5-8-13)6-9-14-25-19(27-33-3)15-20(26-14)28(10-24-15)22-17(31)16(30)18(34-22)21(32)23-2/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,23,32)(H,25,26,27)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299698
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299699
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...)Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O5/c1-28-23-17-14-18(22-13(21-17)8-7-11-5-3-2-4-6-11)24(10-20-14)19-16(27)15(26)12(9-25)29-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,21,22,23)/t12-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50330766
((2S,3S,4R,5R)-5-(6-amino-2-(phenylethynyl)-9H-puri...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H18N6O4/c1-21-18(28)15-13(26)14(27)19(29-15)25-9-22-12-16(20)23-11(24-17(12)25)8-7-10-5-3-2-4-6-10/h2-6,9,13-15,19,26-27H,1H3,(H,21,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205709
((2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-puri...)Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 Show InChI InChI=1S/C18H17N5O4/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50205709
((2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-puri...)Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 Show InChI InChI=1S/C18H17N5O4/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,21,22)/t11-,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
| Article PubMed
| 363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50205709
((2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-puri...)Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 Show InChI InChI=1S/C18H17N5O4/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 391 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50299698
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330766
((2S,3S,4R,5R)-5-(6-amino-2-(phenylethynyl)-9H-puri...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H18N6O4/c1-21-18(28)15-13(26)14(27)19(29-15)25-9-22-12-16(20)23-11(24-17(12)25)8-7-10-5-3-2-4-6-10/h2-6,9,13-15,19,26-27H,1H3,(H,21,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330766
((2S,3S,4R,5R)-5-(6-amino-2-(phenylethynyl)-9H-puri...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H18N6O4/c1-21-18(28)15-13(26)14(27)19(29-15)25-9-22-12-16(20)23-11(24-17(12)25)8-7-10-5-3-2-4-6-10/h2-6,9,13-15,19,26-27H,1H3,(H,21,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50299698
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,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
| Article PubMed
| 8.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |