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)) | BDBM50366768
(CHEMBL611561)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C26H34N10O7/c1-2-27-25(39)22-20(37)21(38)26(42-22)35-14-32-19-23(30-13-31-24(19)35)29-12-8-6-4-3-5-7-11-28-15-9-10-16(36(40)41)18-17(15)33-43-34-18/h9-10,13-14,20-22,26,28,37-38H,2-8,11-12H2,1H3,(H,27,39)(H,29,30,31) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50366767
(CHEMBL611273)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C24H30N10O7/c1-2-25-23(37)20-18(35)19(36)24(40-20)33-12-30-17-21(28-11-29-22(17)33)27-10-6-4-3-5-9-26-13-7-8-14(34(38)39)16-15(13)31-41-32-16/h7-8,11-12,18-20,24,26,35-36H,2-6,9-10H2,1H3,(H,25,37)(H,27,28,29) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50366766
(CHEMBL611562)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C28H38N10O7/c1-2-29-27(41)24-22(39)23(40)28(44-24)37-16-34-21-25(32-15-33-26(21)37)31-14-10-8-6-4-3-5-7-9-13-30-17-11-12-18(38(42)43)20-19(17)35-45-36-20/h11-12,15-16,22-24,28,30,39-40H,2-10,13-14H2,1H3,(H,29,41)(H,31,32,33) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50366765
(CHEMBL611552)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C20H22N10O7/c1-2-21-19(33)16-14(31)15(32)20(36-16)29-8-26-13-17(24-7-25-18(13)29)23-6-5-22-9-3-4-10(30(34)35)12-11(9)27-37-28-12/h3-4,7-8,14-16,20,22,31-32H,2,5-6H2,1H3,(H,21,33)(H,23,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| >200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50366769
(CHEMBL611274)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C22H26N10O7/c1-2-23-21(35)18-16(33)17(34)22(38-18)31-10-28-15-19(26-9-27-20(15)31)25-8-4-3-7-24-11-5-6-12(32(36)37)14-13(11)29-39-30-14/h5-6,9-10,16-18,22,24,33-34H,2-4,7-8H2,1H3,(H,23,35)(H,25,26,27) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 381 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50366768
(CHEMBL611561)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C26H34N10O7/c1-2-27-25(39)22-20(37)21(38)26(42-22)35-14-32-19-23(30-13-31-24(19)35)29-12-8-6-4-3-5-7-11-28-15-9-10-16(36(40)41)18-17(15)33-43-34-18/h9-10,13-14,20-22,26,28,37-38H,2-8,11-12H2,1H3,(H,27,39)(H,29,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50366768
(CHEMBL611561)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C26H34N10O7/c1-2-27-25(39)22-20(37)21(38)26(42-22)35-14-32-19-23(30-13-31-24(19)35)29-12-8-6-4-3-5-7-11-28-15-9-10-16(36(40)41)18-17(15)33-43-34-18/h9-10,13-14,20-22,26,28,37-38H,2-8,11-12H2,1H3,(H,27,39)(H,29,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50366767
(CHEMBL611273)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C24H30N10O7/c1-2-25-23(37)20-18(35)19(36)24(40-20)33-12-30-17-21(28-11-29-22(17)33)27-10-6-4-3-5-9-26-13-7-8-14(34(38)39)16-15(13)31-41-32-16/h7-8,11-12,18-20,24,26,35-36H,2-6,9-10H2,1H3,(H,25,37)(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50366766
(CHEMBL611562)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C28H38N10O7/c1-2-29-27(41)24-22(39)23(40)28(44-24)37-16-34-21-25(32-15-33-26(21)37)31-14-10-8-6-4-3-5-7-9-13-30-17-11-12-18(38(42)43)20-19(17)35-45-36-20/h11-12,15-16,22-24,28,30,39-40H,2-10,13-14H2,1H3,(H,29,41)(H,31,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50366766
(CHEMBL611562)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C28H38N10O7/c1-2-29-27(41)24-22(39)23(40)28(44-24)37-16-34-21-25(32-15-33-26(21)37)31-14-10-8-6-4-3-5-7-9-13-30-17-11-12-18(38(42)43)20-19(17)35-45-36-20/h11-12,15-16,22-24,28,30,39-40H,2-10,13-14H2,1H3,(H,29,41)(H,31,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50366765
(CHEMBL611552)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C20H22N10O7/c1-2-21-19(33)16-14(31)15(32)20(36-16)29-8-26-13-17(24-7-25-18(13)29)23-6-5-22-9-3-4-10(30(34)35)12-11(9)27-37-28-12/h3-4,7-8,14-16,20,22,31-32H,2,5-6H2,1H3,(H,21,33)(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50366769
(CHEMBL611274)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C22H26N10O7/c1-2-23-21(35)18-16(33)17(34)22(38-18)31-10-28-15-19(26-9-27-20(15)31)25-8-4-3-7-24-11-5-6-12(32(36)37)14-13(11)29-39-30-14/h5-6,9-10,16-18,22,24,33-34H,2-4,7-8H2,1H3,(H,23,35)(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50366769
(CHEMBL611274)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C22H26N10O7/c1-2-23-21(35)18-16(33)17(34)22(38-18)31-10-28-15-19(26-9-27-20(15)31)25-8-4-3-7-24-11-5-6-12(32(36)37)14-13(11)29-39-30-14/h5-6,9-10,16-18,22,24,33-34H,2-4,7-8H2,1H3,(H,23,35)(H,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50366765
(CHEMBL611552)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C20H22N10O7/c1-2-21-19(33)16-14(31)15(32)20(36-16)29-8-26-13-17(24-7-25-18(13)29)23-6-5-22-9-3-4-10(30(34)35)12-11(9)27-37-28-12/h3-4,7-8,14-16,20,22,31-32H,2,5-6H2,1H3,(H,21,33)(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50366767
(CHEMBL611273)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C24H30N10O7/c1-2-25-23(37)20-18(35)19(36)24(40-20)33-12-30-17-21(28-11-29-22(17)33)27-10-6-4-3-5-9-26-13-7-8-14(34(38)39)16-15(13)31-41-32-16/h7-8,11-12,18-20,24,26,35-36H,2-6,9-10H2,1H3,(H,25,37)(H,27,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex |
Bioorg Med Chem Lett 11: 3023-6 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4K0H |
More data for this Ligand-Target Pair | |