BDBM50340755 (S)-2-(4-fluoro-3-methylbenzyl)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide::CHEMBL1760450

SMILES: Cc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F

InChI Key: InChIKey=XYEXMBWQLZXAND-SFHVURJKSA-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 = 50340755   

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)	BDBM50340755 ((S)-2-(4-fluoro-3-methylbenzyl)-6-(4-fluorobenzyla...) Show SMILES Cc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F |r| Show InChI InChI=1S/C21H26F2N2O2/c1-15-12-17(7-10-20(15)23)13-18(21(26)25-27)4-2-3-11-24-14-16-5-8-19(22)9-6-16/h5-10,12,18,24,27H,2-4,11,13-14H2,1H3,(H,25,26)/t18-/m0/s1	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	0.25	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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