BDBM50020965 8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(4-Methoxyphenyl)theophylline::8-(4-methoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL11635
SMILES: COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
InChI Key: InChIKey=VPHSVCWZXWNVFF-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)) | BDBM50020965 (8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL | Assay Description Evaluated for binding affinity against Adenosine A1 receptor | J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50020965 (8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 44.4 | 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 receptor A2b (Homo sapiens (Human)) | BDBM50020965 (8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 394 | 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 receptor A2b (Homo sapiens (Human)) | BDBM50020965 (8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 394 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity against human adenosine A2B receptor | Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50020965 (8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 419 | 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) | BDBM50020965 (8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.5 | 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 |