BDBM50134740 (1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol::(2R,3R,4S,5S)-2-Hydroxymethyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol::CHEMBL343247
SMILES: OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
InChI Key: InChIKey=QUTCTTBGQRFQRQ-JEBQKTDQSA-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)) | BDBM50134740 ((1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.470 | 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 | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50134740 ((1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.470 | 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 46: 4750-60 (2003) Article DOI: 10.1021/jm030230z BindingDB Entry DOI: 10.7270/Q2FB52B9 | |||||||||||
More data for this Ligand-Target Pair |