BDBM50016450 CHEMBL39503::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,4,5,6,7-hexahydro-1H-purin-8-yl)-phenoxy]-acetamide
SMILES: CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCN)cc1
InChI Key: InChIKey=BOMFRLDLLQPUBN-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 (Rattus norvegicus (rat)) | BDBM50016450 (CHEMBL39503 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes | J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Rattus norvegicus (rat)) | BDBM50016450 (CHEMBL39503 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices | J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B | |||||||||||
More data for this Ligand-Target Pair |