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Compile Data Set for Download or QSAR

Found 1 hit of kd data for polymerid = 50003850   
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)		BDBM50100895
PNG
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Show SMILES NC(=N)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
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Article
PubMed
n/an/an/a 4.60E+3n/an/an/an/an/a



Lakehead University and Thunder Bay Regional Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clostridium botulinum neurotoxin A light chain at 390 uM by isothermal titration assay

J Med Chem 56: 2791-803 (2013)


Article DOI: 10.1021/jm301829h
BindingDB Entry DOI: 10.7270/Q2PN970P
More data for this
Ligand-Target Pair