BDBM50090881 (2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol::2-(6-Bromo-5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL328826
SMILES: C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)c(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
InChI Key: InChIKey=OJEMOWQMXDBASS-XZVZJOHJSA-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)) | BDBM50090881 ((2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against Human Recombinant Adenosine Kinase | J Med Chem 48: 3389-99 (2005) Article DOI: 10.1021/jm048968j BindingDB Entry DOI: 10.7270/Q2RR1XRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50090881 ((2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-py...) | 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 | 1 | 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 |