BDBM50340773 (R)-2-(4-fluoro-3,5-dimethylphenoxy)-6-(4-fluoro-3-methylbenzylamino)-N-hydroxyhexanamide::CHEMBL1760321

SMILES: Cc1cc(CNCCCC[C@@H](Oc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F

InChI Key: InChIKey=CEPLZQUXHOBLJG-HXUWFJFHSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340773   

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)	BDBM50340773 ((R)-2-(4-fluoro-3,5-dimethylphenoxy)-6-(4-fluoro-3...) Show SMILES Cc1cc(CNCCCC[C@@H](Oc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F |r| Show InChI InChI=1S/C22H28F2N2O3/c1-14-10-17(7-8-19(14)23)13-25-9-5-4-6-20(22(27)26-28)29-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25,28H,4-6,9,13H2,1-3H3,(H,26,27)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	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
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