BDBM50350207 CHEMBL1814776
SMILES: Nc1ncnc2n(cc(C#C)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=ANCWCJFYCNNXDR-QYVSTXNMSA-N
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)) | BDBM50350207 (CHEMBL1814776) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method | J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human)) | BDBM50350207 (CHEMBL1814776) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of DOT1L (unknown origin) using chicken nucleosome as substrate in presence of [3H]SAM incubated for 1 hr by TopCount method | Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50350207 (CHEMBL1814776) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting | J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |