BDBM50329271 (R)-6-(4-tert-butylbenzylamino)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxyhexanamide::CHEMBL1270305

SMILES: Cc1cc(N[C@H](CCCCNCc2ccc(cc2)C(C)(C)C)C(=O)NO)cc(C)c1F

InChI Key: InChIKey=TVTWIMJVTCVBQS-JOCHJYFZSA-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 = 50329271   

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)	BDBM50329271 ((R)-6-(4-tert-butylbenzylamino)-2-(4-fluoro-3,5-di...) Show SMILES Cc1cc(N[C@H](CCCCNCc2ccc(cc2)C(C)(C)C)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C25H36FN3O2/c1-17-14-21(15-18(2)23(17)26)28-22(24(30)29-31)8-6-7-13-27-16-19-9-11-20(12-10-19)25(3,4)5/h9-12,14-15,22,27-28,31H,6-8,13,16H2,1-5H3,(H,29,30)/t22-/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	1.40	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 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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