BDBM50021078 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-N-{2-[ethyl-(4-hydroxy-benzyl)-amino]-ethyl}-acetamide; compound with acetic acid::CHEMBL286728
SMILES: CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
InChI Key: InChIKey=POYSDKDOTHHYSW-UHFFFAOYSA-N
Data: 2 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 receptor A1 (Rattus norvegicus (rat)) | BDBM50021078 (2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity 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 A2 receptor (Homo sapiens (Human)) | BDBM50021078 (2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 320 | 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 |