BDBM50090862 (1R,5S)-2-((3R,4aR)-4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-aminomethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)-tetrahydrofuran-3,4-diol::2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-aminomethyl-tetrahydro-furan-3,4-diol::CHEMBL322611
SMILES: NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
InChI Key: InChIKey=SRBPVSSBBJGNEB-IOSLPCCCSA-N
Data: 4 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)) | BDBM50090862 ((1R,5S)-2-((3R,4aR)-4-Amino-5-iodo-pyrrolo[2,3-d]p...) | 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 | 0.600 | 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: 2883-93 (2000) BindingDB Entry DOI: 10.7270/Q2XG9QCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50090862 ((1R,5S)-2-((3R,4aR)-4-Amino-5-iodo-pyrrolo[2,3-d]p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of adenosine kinase (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-004-0048-0 BindingDB Entry DOI: 10.7270/Q2XG9V11 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50090862 ((1R,5S)-2-((3R,4aR)-4-Amino-5-iodo-pyrrolo[2,3-d]p...) | 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 | 0.603 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University Curated by ChEMBL | Assay Description Concentration required for 50% inhibition of the adenosine kinase (AK) activity. | Bioorg Med Chem Lett 14: 3077-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.040 BindingDB Entry DOI: 10.7270/Q2CZ38BM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50090862 ((1R,5S)-2-((3R,4aR)-4-Amino-5-iodo-pyrrolo[2,3-d]p...) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University Curated by ChEMBL | Assay Description Inhibition of human adenosine kinase activity | Bioorg Med Chem Lett 12: 899-902 (2002) BindingDB Entry DOI: 10.7270/Q2NP23QT | |||||||||||
More data for this Ligand-Target Pair |