BDBM50201834 5-benzo[b]thiophen-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine::CHEMBL226486
SMILES: Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1cc2ccccc2s1
InChI Key: InChIKey=AHQZICXZDXFSNC-UHFFFAOYSA-N
Data: 2 IC50
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 kinase (Homo sapiens (Human)) | BDBM50201834 (5-benzo[b]thiophen-2-yl-6-(6-morpholin-4-ylpyridin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of adenosine kinase in intact cells assessed as adenosine phosphorylation | Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50201834 (5-benzo[b]thiophen-2-yl-6-(6-morpholin-4-ylpyridin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of cytosolic adenosine kinase | Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP | |||||||||||
More data for this Ligand-Target Pair |