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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'botulinum neurotoxin type A' and Ligand = 'BDBM87745'   
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...)
BDBM87745
PNG
(MLS000529701 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc2n(C)c(C)cc2c1
Show InChI InChI=1S/C20H23N3O3S/c1-14-11-17-12-15(5-10-19(17)23(14)4)13-21-20(24)16-6-8-18(9-7-16)27(25,26)22(2)3/h5-12H,13H2,1-4H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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