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BDBM50362899 CHEMBL1945167

SMILES: Oc1c(cc(Cl)c2cccnc12)[C@H](Nc1ccccn1)c1ccccc1

InChI Key: InChIKey=LQXDDYGFBJHSFV-TWYLJJHKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362899   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...)
BDBM50362899
PNG
(CHEMBL1945167)
Show SMILES Oc1c(cc(Cl)c2cccnc12)[C@H](Nc1ccccn1)c1ccccc1
Show InChI InChI=1/C21H16ClN3O/c22-17-13-16(21(26)20-15(17)9-6-12-24-20)19(14-7-2-1-3-8-14)25-18-10-4-5-11-23-18/h1-13,19,26H,(H,23,25)/t19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



U.S. Army Medical Research Institute for Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis


ACS Med Chem Lett 2: 396-401 (2011)


Article DOI: 10.1021/ml200028z
BindingDB Entry DOI: 10.7270/Q2JD4X80
More data for this
Ligand-Target Pair