BDBM50021087 2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-p-tolyl-acetamide::2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-N-p-tolyl-acetamide::CHEMBL441598
SMILES: Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
InChI Key: InChIKey=JTUSFHCKBNBIHL-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine A2 receptor (Homo sapiens (Human)) | BDBM50021087 (2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement. | J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50021087 (2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement. | J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50021087 (2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes. | J Med Chem 30: 211-4 (1987) BindingDB Entry DOI: 10.7270/Q2TT4PZP | |||||||||||
More data for this Ligand-Target Pair |