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 = 'BDBM50260291'   
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 (strain Hall / ATCC 3502 / N...)		BDBM50260291
PNG
((S)-2-[(S)-5-Guanidino-2-((S)-2-mercapto-3-phenyl-...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C18H27N5O4S/c1-11(17(26)27)22-15(24)13(8-5-9-21-18(19)20)23-16(25)14(28)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,28H,5,8-10H2,1H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)/t11-,13-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 6.00E+4n/an/an/an/an/an/an/an/a



SAIC-Frederick, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BoNT/A light chain metalloprotease activity

J Biol Chem 282: 5004-14 (2007)


Article DOI: 10.1074/jbc.M608166200
BindingDB Entry DOI: 10.7270/Q20C4VJF
More data for this
Ligand-Target Pair