BDBM50329273 (R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-(4-fluorophenyl)propylamino)-N-hydroxyhexanamide::CHEMBL1270404
SMILES: Cc1cc(N[C@H](CCCCNCCCc2ccc(F)cc2)C(=O)NO)cc(C)c1F
InChI Key: InChIKey=DFOBZBVQPVHGCP-OAQYLSRUSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Antrax lethal toxin (Bacillus anthracis) | BDBM50329273 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-(4-f...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC Curated by ChEMBL | Assay Description Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate by FRET assay | Bioorg Med Chem Lett 20: 6850-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.058 BindingDB Entry DOI: 10.7270/Q2222V01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Antrax lethal toxin (Bacillus anthracis) | BDBM50329273 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-(4-f...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC Curated by ChEMBL | Assay Description Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate after 4 hrs by FRET assay | Bioorg Med Chem Lett 21: 2030-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.010 BindingDB Entry DOI: 10.7270/Q24M94VB | |||||||||||
More data for this Ligand-Target Pair |