BDBM50131916 Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
SMILES: Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=RBJFKTLXEOJJBT-IWSPIJDZSA-L
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50131916 (Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu Institute of Technology Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase | Eur J Med Chem 60: 333-9 (2013) Article DOI: 10.1016/j.ejmech.2012.12.012 BindingDB Entry DOI: 10.7270/Q2DZ09MS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50131916 (Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm) | J Med Chem 46: 3811-21 (2003) Article DOI: 10.1021/jm021108n BindingDB Entry DOI: 10.7270/Q2MS3TGG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase, cytosolic (Homo sapiens (Human)) | BDBM50131916 (Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh) | J Med Chem 46: 3811-21 (2003) Article DOI: 10.1021/jm021108n BindingDB Entry DOI: 10.7270/Q2MS3TGG | |||||||||||
More data for this Ligand-Target Pair |