BDBM188494 Triazole 1f
SMILES: CC(NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C
InChI Key: InChIKey=OUIZIUPLGXONEI-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv) | BDBM188494 (Triazole 1f) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom... | J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv) | BDBM188494 (Triazole 1f) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom... | J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |