BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type B' AND taxid = 1491   
Target
(Institution)
LigandTarget
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 B


(Clostridium botulinum)
BDBM50360393
PNG
(CHEMBL1933882)
Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Microbiotix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/B light chain after 40 mins by FRET-based assay


Bioorg Med Chem 19: 7338-48 (2011)

More data for this
Ligand-Target Pair
Botulinum neurotoxin type B


(Clostridium botulinum)
BDBM50360392
PNG
(CHEMBL1933865)
Show SMILES COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1I
Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Microbiotix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/B light chain after 40 mins by FRET-based assay


Bioorg Med Chem 19: 7338-48 (2011)

More data for this
Ligand-Target Pair