BDBM50001498 1-Butyl-3,7-dihydro-purine-2,6-dione::CHEMBL68278
SMILES: CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
InChI Key: InChIKey=HZPVRRDNEDXPAJ-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of [125I]-I-AB-MECA binding to human Adenosine A3 receptor | J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 421 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand | J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (GUINEA PIG) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University Curated by ChEMBL | Assay Description Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. | J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 8.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity of specific [3H]-R-PIA binding to rat Adenosine A1 receptor in HEK-293 cells | J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutische Chemie Curated by ChEMBL | Assay Description Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand | J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2a receptor (GUINEA PIG) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University Curated by ChEMBL | Assay Description Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX | J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutische Chemie Curated by ChEMBL | Assay Description Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligand | J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 4 (Homo sapiens (Human)) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 7.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University Curated by ChEMBL | Assay Description Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle | J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50001498 (1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 4.34E+4 | n/a | n/a | n/a | n/a |
Hokuriku University Curated by ChEMBL | Assay Description Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains. | J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23 | |||||||||||
More data for this Ligand-Target Pair |