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BDBM50240902 (2E)-2-{4-[6-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)-1-benzothien-2-yl]benzylidene}hydrazinecarboximidamide::2-{[2-(4-{[(diaminomethylene)hydrazono]methyl}phenyl)-1-benzothien-6-yl]methylene}hydrazinecarboximidamide::CHEMBL424381::NSC-341909

SMILES: NC(=N)NN=Cc1ccc(cc1)-c1cc2ccc(C=NNC(N)=N)cc2s1

InChI Key: InChIKey=LACOGWPZIPYJQK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50240902   
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...)		BDBM50240902
PNG
((2E)-2-{4-[6-((E)-{[(E)-amino(imino)methyl]hydrazo...)
Show SMILES NC(=N)NN=Cc1ccc(cc1)-c1cc2ccc(C=NNC(N)=N)cc2s1 |w:18.18,4.3|
Show InChI InChI=1S/C18H18N8S/c19-17(20)25-23-9-11-1-4-13(5-2-11)16-8-14-6-3-12(7-15(14)27-16)10-24-26-18(21)22/h1-10H,(H4,19,20,25)(H4,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 3.00E+3n/an/an/an/an/an/an/an/a



SAIC-Frederick, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BoNT/A light chain metalloprotease activity

J Biol Chem 282: 5004-14 (2007)


Article DOI: 10.1074/jbc.M608166200
BindingDB Entry DOI: 10.7270/Q20C4VJF
More data for this
Ligand-Target Pair