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BDBM50433348 CHEMBL2376596

SMILES: ONC(=O)c1cccc(c1)-c1ccc(CNCC2CCCO2)o1

InChI Key: InChIKey=TZNVIYBVFVLDMZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433348   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM50433348
PNG
(CHEMBL2376596)
Show SMILES ONC(=O)c1cccc(c1)-c1ccc(CNCC2CCCO2)o1
Show InChI InChI=1S/C17H20N2O4/c20-17(19-21)13-4-1-3-12(9-13)16-7-6-15(23-16)11-18-10-14-5-2-8-22-14/h1,3-4,6-7,9,14,18,21H,2,5,8,10-11H2,(H,19,20)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+5n/an/an/an/an/an/an/an/a



PanThera Biopharma, LLC

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/A light chain (1 to 429 amino acid) using Abz-Thr-dArg-Ile-Asp-Glu-Ala-Asn-Gln-Arg-Ala-Thr-Lys-Nle-Lys(Dnp)-...


Bioorg Med Chem Lett 23: 2505-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.030
BindingDB Entry DOI: 10.7270/Q2PR7XC5
More data for this
Ligand-Target Pair