BDBM50018159 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid::8-(4-Carboxyphenyl)theophylline::CHEMBL11048
SMILES: Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
InChI Key: InChIKey=VOGIMZNURUXDIJ-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 A1 (Rattus norvegicus (rat)) | BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database | Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Homo sapiens (Human)) | BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health Curated by ChEMBL | Assay Description Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes. | J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2a receptor (GUINEA PIG) | BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor) | J Med Chem 28: 487-92 (1985) BindingDB Entry DOI: 10.7270/Q2RV0P8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health Curated by ChEMBL | Assay Description Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes | J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes | J Med Chem 28: 487-92 (1985) BindingDB Entry DOI: 10.7270/Q2RV0P8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database | Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50018159 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine | J Med Chem 28: 1071-9 (1985) Checked by Author BindingDB Entry DOI: 10.7270/Q2445N2W | |||||||||||
More data for this Ligand-Target Pair |