BDBM50329275 (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-(pyrrolidin-1-yl)ethyl)butanamide::CHEMBL1270497

SMILES: CO[C@H](C[C@H](CCN1CCCC1)C(=O)NO)c1ccc(F)cc1

InChI Key: InChIKey=JLKDMLRJHDWPLO-GOEBONIOSA-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 = 50329275   

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)	BDBM50329275 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN1CCCC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H25FN2O3/c1-23-16(13-4-6-15(18)7-5-13)12-14(17(21)19-22)8-11-20-9-2-3-10-20/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21)/t14-,16+/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	122	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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