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SMILES: NS(=O)(=O)c1cccc(c1)[C@@H]([NH3+])[C@@H](S)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCc1ccccc1

InChI Key: InChIKey=QCYCAMFQCNIFIN-XQOSCOKLSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073678   
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
Tetanus toxin


(Clostridium tetani)		BDBM50073678
PNG
((1R,2R)-2-[1-[1-Benzylcarbamoyl-2-(1H-imidazol-4-y...)
Show SMILES NS(=O)(=O)c1cccc(c1)[C@@H]([NH3+])[C@@H](S)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H35N7O6S2/c32-27(21-7-4-8-24(14-21)46(33,43)44)28(45)31(42)38-25(13-19-9-11-23(39)12-10-19)30(41)37-26(15-22-17-34-18-36-22)29(40)35-16-20-5-2-1-3-6-20/h1-12,14,17-18,25-28,39,45H,13,15-16,32H2,(H,34,36)(H,35,40)(H,37,41)(H,38,42)(H2,33,43,44)/p+1/t25?,26?,27-,28-/m1/s1
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Similars
Article
PubMed
 6.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of tetanus neurotoxin (TeNt)

J Med Chem 42: 515-25 (1999)


Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075
More data for this
Ligand-Target Pair