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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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329271   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Antrax lethal toxin


(Bacillus anthracis)
BDBM50329271
PNG
((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
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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair