Found 96 hits for monomerid = 14487 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Solute carrier family 28 member 3
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human CNT3 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 5 mins by sci... |
Drug Metab Dispos 41: 916-22 (2013)
Article DOI: 10.1124/dmd.112.049858 BindingDB Entry DOI: 10.7270/Q21N82VJ |
More data for this Ligand-Target Pair | |
Sodium/nucleoside cotransporter 2
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human CNT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc... |
Drug Metab Dispos 41: 916-22 (2013)
Article DOI: 10.1124/dmd.112.049858 BindingDB Entry DOI: 10.7270/Q21N82VJ |
More data for this Ligand-Target Pair | |
Sodium/nucleoside cotransporter 1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc... |
Drug Metab Dispos 41: 916-22 (2013)
Article DOI: 10.1124/dmd.112.049858 BindingDB Entry DOI: 10.7270/Q21N82VJ |
More data for this Ligand-Target Pair | |
Equilibrative nucleoside transporter 2
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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Similars
| Article PubMed
| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human ENT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc... |
Drug Metab Dispos 41: 916-22 (2013)
Article DOI: 10.1124/dmd.112.049858 BindingDB Entry DOI: 10.7270/Q21N82VJ |
More data for this Ligand-Target Pair | |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human ENT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc... |
Drug Metab Dispos 41: 916-22 (2013)
Article DOI: 10.1124/dmd.112.049858 BindingDB Entry DOI: 10.7270/Q21N82VJ |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A1 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinos... |
J Med Chem 59: 788-809 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 730 | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A2A receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioino... |
J Med Chem 59: 788-809 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A2B receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioino... |
J Med Chem 59: 788-809 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A3 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinos... |
J Med Chem 59: 788-809 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase r... |
J Med Chem 59: 947-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase r... |
J Med Chem 59: 947-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 5.13E+4 | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase r... |
J Med Chem 59: 947-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m... |
J Med Chem 59: 947-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Agonist activity at human Adenosine A3 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m... |
J Med Chem 59: 947-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN |
More data for this Ligand-Target Pair | |
Heat shock cognate 71 kDa protein
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.12E+5 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis |
J Med Chem 59: 4625-36 (2016)
Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock cognate 71 kDa protein
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis |
J Med Chem 59: 4625-36 (2016)
Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tartu University
Curated by ChEMBL
| Assay Description Inhibitory activity against Protein kinase C beta isoform (PKC) from pig spleen. |
Bioorg Med Chem Lett 9: 1447-52 (1999)
Article DOI: 10.1016/s0960-894x(99)00210-3 BindingDB Entry DOI: 10.7270/Q2RF5VJB |
More data for this Ligand-Target Pair | |
Calcium dependent protein kinase
(Zea mays) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
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| Article PubMed
| n/a | n/a | 1.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tartu University
Curated by ChEMBL
| Assay Description Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings |
Bioorg Med Chem Lett 9: 1447-52 (1999)
Article DOI: 10.1016/s0960-894x(99)00210-3 BindingDB Entry DOI: 10.7270/Q2RF5VJB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Effective concentration required for cyclic AMP dependent inhibition of blood platelet aggregation for A2 receptor stimulation |
J Med Chem 36: 4113-20 (1994)
Article DOI: 10.1021/jm00077a017 BindingDB Entry DOI: 10.7270/Q2B27VXH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(GUINEA PIG) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1334-9 (1991)
Checked by Author Article DOI: 10.1021/jm00108a014 BindingDB Entry DOI: 10.7270/Q23N240H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ghent
Curated by ChEMBL
| Assay Description TInhibition of glyceraldehyde-3-phosphate dehydrogenase in Leishmania mexicana |
J Med Chem 38: 3838-49 (1995)
Article DOI: 10.1021/jm00019a014 BindingDB Entry DOI: 10.7270/Q2HT2PZ4 |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei |
J Med Chem 37: 3605-13 (1994)
Article DOI: 10.1021/jm00047a017 BindingDB Entry DOI: 10.7270/Q26W9BQD |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana |
J Med Chem 41: 4790-9 (1998)
Article DOI: 10.1021/jm9802620 BindingDB Entry DOI: 10.7270/Q2Q240ZW |
More data for this Ligand-Target Pair | |
Adenylate cyclase type 5
(Rattus norvegicus) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition of adenylate cyclase from rat brain |
J Med Chem 47: 1207-13 (2004)
Article DOI: 10.1021/jm0303599 BindingDB Entry DOI: 10.7270/Q2Q52QC7 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Activity against human wild type adenosine A3 receptor expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay |
J Med Chem 49: 2689-702 (2006)
Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description Agonist activity at human A1AR assessed as induction of Ca2+ ion mobilization by orthogonal functional assay |
J Med Chem 55: 6467-77 (2012)
Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of isoproterenol-induced cAMP accumulation incubated for 10 mins ... |
J Med Chem 55: 6467-77 (2012)
Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4-kinase type 2-alpha
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar
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Similars
| Article PubMed
| n/a | n/a | 3.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Research Limited
Curated by ChEMBL
| Assay Description Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site |
J Med Chem 33: 2073-80 (1990)
Article DOI: 10.1021/jm00170a005 BindingDB Entry DOI: 10.7270/Q25T3NQV |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as increase of intracellular calcium level |
Bioorg Med Chem Lett 20: 4140-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as increase of intracellular calcium level |
Bioorg Med Chem Lett 20: 4140-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase of intracellular calcium level |
Bioorg Med Chem Lett 20: 4140-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as increase of intracellular calcium level |
Bioorg Med Chem Lett 20: 4140-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
Article DOI: 10.1021/jm00108a015 BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a... |
ACS Med Chem Lett 8: 338-343 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00519 BindingDB Entry DOI: 10.7270/Q2WW7KZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi... |
Bioorg Med Chem Lett 27: 1031-1036 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 ... |
Bioorg Med Chem Lett 27: 1031-1036 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphoglycerate kinase 1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK) |
J Med Chem 43: 4135-50 (2000)
Article DOI: 10.1021/jm000287a BindingDB Entry DOI: 10.7270/Q2TB19N4 |
More data for this Ligand-Target Pair | |
Avidin
(Gallus gallus) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | 1.17E+5 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to chick avidin using fluorescence spectral analysis method based double reciprocal plot analysis |
Bioorg Med Chem Lett 22: 7052-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.088 BindingDB Entry DOI: 10.7270/Q2HX1GKC |
More data for this Ligand-Target Pair | |
Streptavidin
(Streptomyces avidinii) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
DrugBank GoogleScholar
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Similars
| Article PubMed
| n/a | n/a | n/a | 1.68E+5 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to Streptomyces avidinii streptavidin using fluorescence spectral analysis method based double reciprocal plot analysis |
Bioorg Med Chem Lett 22: 7052-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.088 BindingDB Entry DOI: 10.7270/Q2HX1GKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Agonist activity at A2B receptor (unknown origin) |
J Med Chem 64: 458-480 (2021)
Article DOI: 10.1021/acs.jmedchem.0c01431 |
More data for this Ligand-Target Pair | |
Endoplasmin
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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Similars
| Article PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assay |
ACS Med Chem Lett 12: 373-379 (2021)
Article DOI: 10.1021/acsmedchemlett.0c00509 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay |
ACS Med Chem Lett 12: 373-379 (2021)
Article DOI: 10.1021/acsmedchemlett.0c00509 |
More data for this Ligand-Target Pair | |