BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'botulinum neurotoxin type A' and Ligand = 'BDBM62820'   
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...)
BDBM62820
PNG
(2-methyl-N-[2-(2-methyl-1-indolyl)ethyl]propanamid...)
Show SMILES CC(C)C(=O)NCCn1c(C)cc2ccccc12
Show InChI InChI=1S/C15H20N2O/c1-11(2)15(18)16-8-9-17-12(3)10-13-6-4-5-7-14(13)17/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM62820
PNG
(2-methyl-N-[2-(2-methyl-1-indolyl)ethyl]propanamid...)
Show SMILES CC(C)C(=O)NCCn1c(C)cc2ccccc12
Show InChI InChI=1S/C15H20N2O/c1-11(2)15(18)16-8-9-17-12(3)10-13-6-4-5-7-14(13)17/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair