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SMILES: NOC(=O)CC[C@H]([NH3+])C(S)C(=O)N[C@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=XLAPBTNYCQVQPJ-VUDPYIQVSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073667   
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)		BDBM50073667
PNG
(N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoy...)
Show SMILES NOC(=O)CC[C@H]([NH3+])C(S)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21N3O5S/c16-10(6-7-12(19)23-17)13(24)14(20)18-11(15(21)22)8-9-4-2-1-3-5-9/h1-5,10-11,13,24H,6-8,16-17H2,(H,18,20)(H,21,22)/p+1/t10-,11+,13?/m0/s1
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MMDB

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PC cid
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Similars
Article
PubMed
 1.00E+5n/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