Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tetanus toxin' and Ligand = 'BDBM50073677'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tetanus toxin (Clostridium tetani)	BDBM50073677 (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)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H28N4O8S/c21-12(6-9-16(27)32-22)17(33)19(29)24-14(10-11-4-2-1-3-5-11)18(28)23-13(20(30)31)7-8-15(25)26/h1-5,12-14,17,33H,6-10,21-22H2,(H,23,28)(H,24,29)(H,25,26)(H,30,31)/p+1/t12-,13-,14+,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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