BDBM50090893 2-[4-(4-Methoxy-phenylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL98744
SMILES: COc1ccc(Nc2ncnc3n(cc(-c4ccccc4)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1
InChI Key: InChIKey=PKDBEAMJXHHICQ-VPWKFZTBSA-N
Data: 1 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)) | BDBM50090893 (2-[4-(4-Methoxy-phenylamino)-5-phenyl-pyrrolo[2,3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc Curated by ChEMBL | Assay Description Inhibition of recombinant human adenosine kinase | J Med Chem 43: 2894-905 (2000) BindingDB Entry DOI: 10.7270/Q2SQ8ZMP | |||||||||||
More data for this Ligand-Target Pair |