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| 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)) | BDBM198126 ((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem | Article PubMed | 0.220 | -55.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 0.5 | -53.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM86761 (CAS_35920-39-9 | NECA | NSC_448222) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | 14 | -44.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM86761 (CAS_35920-39-9 | NECA | NSC_448222) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 16 | -44.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM86761 (CAS_35920-39-9 | NECA | NSC_448222) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | 73 | -40.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 337 | -36.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM198126 ((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 401 | -36.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM198126 ((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 890 | -34.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM198129 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (6)) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.20E+3 | -33.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.24E+3 | -33.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM198128 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (5)) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.95E+3 | -32.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM198129 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (6)) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM198128 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (5)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM198129 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (6)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM198128 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (5)) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 3 | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 490 | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 30 | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM198128 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (5)) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 870 | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II | Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/... | Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
