BDBM50329264 (R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-fluorobenzylamino)-N-hydroxyhexanamide::CHEMBL1269993

SMILES: Cc1cc(N[C@H](CCCCNCc2cccc(F)c2)C(=O)NO)cc(C)c1F

InChI Key: InChIKey=YJRUDKVPGSIGGU-LJQANCHMSA-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 = 50329264   

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)	BDBM50329264 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-fluo...) Show SMILES Cc1cc(N[C@H](CCCCNCc2cccc(F)c2)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C21H27F2N3O2/c1-14-10-18(11-15(2)20(14)23)25-19(21(27)26-28)8-3-4-9-24-13-16-6-5-7-17(22)12-16/h5-7,10-12,19,24-25,28H,3-4,8-9,13H2,1-2H3,(H,26,27)/t19-/m1/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	0.850	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
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