BDBM50132275 1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-pyridazin-3-yl}-piperidin-4-one O-(tetrahydro-pyran-4-yl)-oxime::CHEMBL103812
SMILES: [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
InChI Key: InChIKey=JVEQGRUHBGDFNY-UHFFFAOYSA-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)) | BDBM50132275 (1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against adenosine kinase was determined | Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50132275 (1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) | 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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against adenosine kinase was determined | Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3 | |||||||||||
More data for this Ligand-Target Pair |