BDBM50329282 (2S,4R)-2-(2-(4-benzylpiperazin-1-yl)ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide::CHEMBL1270802

SMILES: CO[C@H](C[C@H](CCN1CCN(Cc2ccccc2)CC1)C(=O)NO)c1ccc(F)cc1

InChI Key: InChIKey=BUAQHXYXWQNBFC-JTHBVZDNSA-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 = 50329282   

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)	BDBM50329282 ((2S,4R)-2-(2-(4-benzylpiperazin-1-yl)ethyl)-4-(4-f...) Show SMILES CO[C@H](C[C@H](CCN1CCN(Cc2ccccc2)CC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H32FN3O3/c1-31-23(20-7-9-22(25)10-8-20)17-21(24(29)26-30)11-12-27-13-15-28(16-14-27)18-19-5-3-2-4-6-19/h2-10,21,23,30H,11-18H2,1H3,(H,26,29)/t21-,23+/m0/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	115	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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