BDBM50174602 (4R,5R,6S)-5-[4-(4-Fluoro-phenylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]-4-oxa-spiro[2.4]heptane-6,7-diol::CHEMBL194294
SMILES: O[C@@H]1[C@H](O)C2(CC2)O[C@H]1n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12
InChI Key: InChIKey=WQDAZQXJSPZNIA-ZRCGQRJVSA-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)) | BDBM50174602 ((4R,5R,6S)-5-[4-(4-Fluoro-phenylamino)-5-phenyl-py...) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand | J Med Chem 48: 6430-41 (2005) Article DOI: 10.1021/jm0503650 BindingDB Entry DOI: 10.7270/Q2DV1JFS | |||||||||||
More data for this Ligand-Target Pair |