Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tetanus toxin' and Ligand = 'BDBM50073676'   

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)	BDBM50073676 (N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoy...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(S)[C@@H]([NH3+])CCC(=O)ON)C(O)=O Show InChI InChI=1S/C24H35N5O10S/c1-12(30)19(24(37)38)29-21(34)15(8-9-17(31)32)27-22(35)16(11-13-5-3-2-4-6-13)28-23(36)20(40)14(25)7-10-18(33)39-26/h2-6,12,14-16,19-20,30,40H,7-11,25-26H2,1H3,(H,27,35)(H,28,36)(H,29,34)(H,31,32)(H,37,38)/p+1/t12-,14+,15+,16-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	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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