BDBM50166485 1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro-phenyl)-2-oxo-ethyl]-pyrazolidine-3,5-dione::CHEMBL363799::MurB inhibitor (compound 17)
SMILES: Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
InChI Key: InChIKey=YDBQQPRWAHHCPH-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MurB (E. coli) (Escherichia coli K-12 (Enterobacteria)) | BDBM50166485 (1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia | Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurB (S. aureus) (Staphylococcus aureus (Firmicutes)) | BDBM50166485 (1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia | Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurB (E. coli) (Escherichia coli K-12 (Enterobacteria)) | BDBM50166485 (1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against MurB enzyme in Escherichia coli | Bioorg Med Chem Lett 15: 2527-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.058 BindingDB Entry DOI: 10.7270/Q2BG2NHW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurB (S. aureus) (Staphylococcus aureus (Firmicutes)) | BDBM50166485 (1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against MurB enzyme in Staphylococcus aureus | Bioorg Med Chem Lett 15: 2527-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.058 BindingDB Entry DOI: 10.7270/Q2BG2NHW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria)) | BDBM50166485 (1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against MurA enzyme in Escherichia coli | Bioorg Med Chem Lett 15: 2527-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.058 BindingDB Entry DOI: 10.7270/Q2BG2NHW | |||||||||||
More data for this Ligand-Target Pair |