BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A' and Ligand = 'BDBM50234251'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Botulinum neurotoxin type A


(Clostridium botulinum)		BDBM50234251
PNG
(CHEMBL4087160)
Show SMILES Cc1ccc2ccc(C(Nc3ncccn3)c3ccc(F)cc3F)c(O)c2n1
Show InChI InChI=1S/C21H16F2N4O/c1-12-3-4-13-5-7-16(20(28)18(13)26-12)19(27-21-24-9-2-10-25-21)15-8-6-14(22)11-17(15)23/h2-11,19,28H,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...

Bioorg Med Chem Lett 27: 675-678 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.019
BindingDB Entry DOI: 10.7270/Q2NP26PM
More data for this
Ligand-Target Pair